tert-butyl 4-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-2-methylpiperazine-1-carboxylate

C17H24N6O2 — CID 90016141

IUPACtert-butyl 4-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-2-methylpiperazine-1-carboxylate
SMILESCC1CN(c2ccc3ncnc(N)c3n2)CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C17H24N6O2/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/h5-6,10-11H,7-9H2,1-4H3,(H2,18,19,20)
InChIKeyCCIYWAQTLNKNPI-UHFFFAOYSA-N
MW344.42 g/mol
LogP2.05
Rot. Bonds1

About tert-butyl 4-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-2-methylpiperazine-1-carboxylate

tert-butyl 4-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-2-methylpiperazine-1-carboxylate (PubChem CID 90016141) has the molecular formula C17H24N6O2 and a molecular weight of 344.42 g/mol. Its IUPAC name is tert-butyl 4-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-2-methylpiperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-2-methylpiperazine-1-carboxylate
PubChem CID90016141
Molecular FormulaC17H24N6O2
Molecular Weight344.42 g/mol
Exact Mass344.20
IUPAC Nametert-butyl 4-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-2-methylpiperazine-1-carboxylate
SMILESCC1CN(c2ccc3ncnc(N)c3n2)CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C17H24N6O2/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/h5-6,10-11H,7-9H2,1-4H3,(H2,18,19,20)
InChIKeyCCIYWAQTLNKNPI-UHFFFAOYSA-N
XLogP2.05
TPSA97.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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?
The IUPAC name of tert-butyl 4-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-2-methylpiperazine-1-carboxylate (CID 90016141) is tert-butyl 4-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-2-methylpiperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-2-methylpiperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-2-methylpiperazine-1-carboxylate is CC1CN(c2ccc3ncnc(N)c3n2)CCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 4-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-2-methylpiperazine-1-carboxylate?
The InChIKey is CCIYWAQTLNKNPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O2/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/h5-6,10-11H,7-9H2,1-4H3,(H2,18,19,20).
What are the key properties of tert-butyl 4-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-2-methylpiperazine-1-carboxylate?
tert-butyl 4-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-2-methylpiperazine-1-carboxylate has a molecular weight of 344.42 g/mol, XLogP of 2.05, 1 rotatable bonds, 1 hydrogen bond donors, and 7 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 is sourced from PubChem (CID 90016141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).