N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-methyl-2-pyridin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine

C21H27N7 — CID 56866186

IUPACN-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-methyl-2-pyridin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
SMILESCN(Cc1cc(C(C)(C)C)n[nH]1)c1nc(-c2ccncc2)nc2c1CCNC2
InChIInChI=1S/C21H27N7/c1-21(2,3)18-11-15(26-27-18)13-28(4)20-16-7-10-23-12-17(16)24-19(25-20)14-5-8-22-9-6-14/h5-6,8-9,11,23H,7,10,12-13H2,1-4H3,(H,26,27)
InChIKeyIZFKFSLIVAWGKB-UHFFFAOYSA-N
MW377.50 g/mol
LogP2.84
Rot. Bonds4

About N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-methyl-2-pyridin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine

N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-methyl-2-pyridin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine (PubChem CID 56866186) has the molecular formula C21H27N7 and a molecular weight of 377.50 g/mol. Its IUPAC name is N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-methyl-2-pyridin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-methyl-2-pyridin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
PubChem CID56866186
Molecular FormulaC21H27N7
Molecular Weight377.50 g/mol
Exact Mass377.23
IUPAC NameN-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-methyl-2-pyridin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
SMILESCN(Cc1cc(C(C)(C)C)n[nH]1)c1nc(-c2ccncc2)nc2c1CCNC2
InChIInChI=1S/C21H27N7/c1-21(2,3)18-11-15(26-27-18)13-28(4)20-16-7-10-23-12-17(16)24-19(25-20)14-5-8-22-9-6-14/h5-6,8-9,11,23H,7,10,12-13H2,1-4H3,(H,26,27)
InChIKeyIZFKFSLIVAWGKB-UHFFFAOYSA-N
XLogP2.84
TPSA82.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.50
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-methyl-2-pyridin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-methyl-2-pyridin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine (CID 56866186) is N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-methyl-2-pyridin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-methyl-2-pyridin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-methyl-2-pyridin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine is CN(Cc1cc(C(C)(C)C)n[nH]1)c1nc(-c2ccncc2)nc2c1CCNC2.
What is the InChIKey of N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-methyl-2-pyridin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine?
The InChIKey is IZFKFSLIVAWGKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N7/c1-21(2,3)18-11-15(26-27-18)13-28(4)20-16-7-10-23-12-17(16)24-19(25-20)14-5-8-22-9-6-14/h5-6,8-9,11,23H,7,10,12-13H2,1-4H3,(H,26,27).
What are the key properties of N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-methyl-2-pyridin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine?
N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-methyl-2-pyridin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine has a molecular weight of 377.50 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-methyl-2-pyridin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 56866186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).