tert-butyl 4-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-2-methylpiperazine-1-carboxylate;6-[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]pyrido[3,2-d]pyrimidin-4-amine

C33H43N13O2 — CID 90026155

IUPACtert-butyl 4-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-2-methylpiperazine-1-carboxylate;6-[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]pyrido[3,2-d]pyrimidin-4-amine
SMILESCC1CN(c2ccc3ncnc(N)c3n2)CCN1C(=O)OC(C)(C)C.Cc1cn[nH]c1C1CCCN(c2ccc3ncnc(N)c3n2)C1
InChIInChI=1S/C17H24N6O2.C16H19N7/c1-11-9-22(7-8-23(11)16(24)25-17(2,3)4)13-6-5-12-14(21-13)15(18)20-10-19-12;1-10-7-20-22-14(10)11-3-2-6-23(8-11)13-5-4-12-15(21-13)16(17)19-9-18-12/h5-6,10-11H,7-9H2,1-4H3,(H2,18,19,20);4-5,7,9,11H,2-3,6,8H2,1H3,(H,20,22)(H2,17,18,19)
InChIKeyFKFKRJNQIIMQLX-UHFFFAOYSA-N
MW653.80 g/mol
LogP4.08
Rot. Bonds3

About tert-butyl 4-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-2-methylpiperazine-1-carboxylate;6-[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]pyrido[3,2-d]pyrimidin-4-amine

tert-butyl 4-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-2-methylpiperazine-1-carboxylate;6-[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]pyrido[3,2-d]pyrimidin-4-amine (PubChem CID 90026155) has the molecular formula C33H43N13O2 and a molecular weight of 653.80 g/mol. Its IUPAC name is tert-butyl 4-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-2-methylpiperazine-1-carboxylate;6-[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]pyrido[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Nametert-butyl 4-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-2-methylpiperazine-1-carboxylate;6-[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]pyrido[3,2-d]pyrimidin-4-amine
PubChem CID90026155
Molecular FormulaC33H43N13O2
Molecular Weight653.80 g/mol
Exact Mass653.37
IUPAC Nametert-butyl 4-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-2-methylpiperazine-1-carboxylate;6-[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]pyrido[3,2-d]pyrimidin-4-amine
SMILESCC1CN(c2ccc3ncnc(N)c3n2)CCN1C(=O)OC(C)(C)C.Cc1cn[nH]c1C1CCCN(c2ccc3ncnc(N)c3n2)C1
InChIInChI=1S/C17H24N6O2.C16H19N7/c1-11-9-22(7-8-23(11)16(24)25-17(2,3)4)13-6-5-12-14(21-13)15(18)20-10-19-12;1-10-7-20-22-14(10)11-3-2-6-23(8-11)13-5-4-12-15(21-13)16(17)19-9-18-12/h5-6,10-11H,7-9H2,1-4H3,(H2,18,19,20);4-5,7,9,11H,2-3,6,8H2,1H3,(H,20,22)(H2,17,18,19)
InChIKeyFKFKRJNQIIMQLX-UHFFFAOYSA-N
XLogP4.08
TPSA194.08 Ų
H-Bond Donors3
H-Bond Acceptors13
Rotatable Bonds3
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500653.80
LogP ≤ 54.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1013

Analyze tert-butyl 4-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-2-methylpiperazine-1-carboxylate;6-[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]pyrido[3,2-d]pyrimidin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-2-methylpiperazine-1-carboxylate;6-[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]pyrido[3,2-d]pyrimidin-4-amine?
The IUPAC name of tert-butyl 4-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-2-methylpiperazine-1-carboxylate;6-[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]pyrido[3,2-d]pyrimidin-4-amine (CID 90026155) is tert-butyl 4-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-2-methylpiperazine-1-carboxylate;6-[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]pyrido[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for tert-butyl 4-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-2-methylpiperazine-1-carboxylate;6-[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]pyrido[3,2-d]pyrimidin-4-amine?
The canonical SMILES for tert-butyl 4-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-2-methylpiperazine-1-carboxylate;6-[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]pyrido[3,2-d]pyrimidin-4-amine is CC1CN(c2ccc3ncnc(N)c3n2)CCN1C(=O)OC(C)(C)C.Cc1cn[nH]c1C1CCCN(c2ccc3ncnc(N)c3n2)C1.
What is the InChIKey of tert-butyl 4-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-2-methylpiperazine-1-carboxylate;6-[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]pyrido[3,2-d]pyrimidin-4-amine?
The InChIKey is FKFKRJNQIIMQLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O2.C16H19N7/c1-11-9-22(7-8-23(11)16(24)25-17(2,3)4)13-6-5-12-14(21-13)15(18)20-10-19-12;1-10-7-20-22-14(10)11-3-2-6-23(8-11)13-5-4-12-15(21-13)16(17)19-9-18-12/h5-6,10-11H,7-9H2,1-4H3,(H2,18,19,20);4-5,7,9,11H,2-3,6,8H2,1H3,(H,20,22)(H2,17,18,19).
What are the key properties of tert-butyl 4-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-2-methylpiperazine-1-carboxylate;6-[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]pyrido[3,2-d]pyrimidin-4-amine?
tert-butyl 4-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-2-methylpiperazine-1-carboxylate;6-[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]pyrido[3,2-d]pyrimidin-4-amine has a molecular weight of 653.80 g/mol, XLogP of 4.08, 3 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-2-methylpiperazine-1-carboxylate;6-[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]pyrido[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 90026155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).