N-(cyclopropylmethyl)-2-[methyl(2-pyridin-3-ylethyl)amino]-6-morpholin-4-ylpyrimidine-4-carboxamide

C21H28N6O2 — CID 147249595

IUPACN-(cyclopropylmethyl)-2-[methyl(2-pyridin-3-ylethyl)amino]-6-morpholin-4-ylpyrimidine-4-carboxamide
SMILESCN(CCc1cccnc1)c1nc(C(=O)NCC2CC2)cc(N2CCOCC2)n1
InChIInChI=1S/C21H28N6O2/c1-26(8-6-16-3-2-7-22-14-16)21-24-18(20(28)23-15-17-4-5-17)13-19(25-21)27-9-11-29-12-10-27/h2-3,7,13-14,17H,4-6,8-12,15H2,1H3,(H,23,28)
InChIKeyCMKQRPHFCXOQBF-UHFFFAOYSA-N
MW396.50 g/mol
LogP1.53
Rot. Bonds8

About N-(cyclopropylmethyl)-2-[methyl(2-pyridin-3-ylethyl)amino]-6-morpholin-4-ylpyrimidine-4-carboxamide

N-(cyclopropylmethyl)-2-[methyl(2-pyridin-3-ylethyl)amino]-6-morpholin-4-ylpyrimidine-4-carboxamide (PubChem CID 147249595) has the molecular formula C21H28N6O2 and a molecular weight of 396.50 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-[methyl(2-pyridin-3-ylethyl)amino]-6-morpholin-4-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-[methyl(2-pyridin-3-ylethyl)amino]-6-morpholin-4-ylpyrimidine-4-carboxamide
PubChem CID147249595
Molecular FormulaC21H28N6O2
Molecular Weight396.50 g/mol
Exact Mass396.23
IUPAC NameN-(cyclopropylmethyl)-2-[methyl(2-pyridin-3-ylethyl)amino]-6-morpholin-4-ylpyrimidine-4-carboxamide
SMILESCN(CCc1cccnc1)c1nc(C(=O)NCC2CC2)cc(N2CCOCC2)n1
InChIInChI=1S/C21H28N6O2/c1-26(8-6-16-3-2-7-22-14-16)21-24-18(20(28)23-15-17-4-5-17)13-19(25-21)27-9-11-29-12-10-27/h2-3,7,13-14,17H,4-6,8-12,15H2,1H3,(H,23,28)
InChIKeyCMKQRPHFCXOQBF-UHFFFAOYSA-N
XLogP1.53
TPSA83.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.50
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-[methyl(2-pyridin-3-ylethyl)amino]-6-morpholin-4-ylpyrimidine-4-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-2-[methyl(2-pyridin-3-ylethyl)amino]-6-morpholin-4-ylpyrimidine-4-carboxamide (CID 147249595) is N-(cyclopropylmethyl)-2-[methyl(2-pyridin-3-ylethyl)amino]-6-morpholin-4-ylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-[methyl(2-pyridin-3-ylethyl)amino]-6-morpholin-4-ylpyrimidine-4-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-[methyl(2-pyridin-3-ylethyl)amino]-6-morpholin-4-ylpyrimidine-4-carboxamide is CN(CCc1cccnc1)c1nc(C(=O)NCC2CC2)cc(N2CCOCC2)n1.
What is the InChIKey of N-(cyclopropylmethyl)-2-[methyl(2-pyridin-3-ylethyl)amino]-6-morpholin-4-ylpyrimidine-4-carboxamide?
The InChIKey is CMKQRPHFCXOQBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N6O2/c1-26(8-6-16-3-2-7-22-14-16)21-24-18(20(28)23-15-17-4-5-17)13-19(25-21)27-9-11-29-12-10-27/h2-3,7,13-14,17H,4-6,8-12,15H2,1H3,(H,23,28).
What are the key properties of N-(cyclopropylmethyl)-2-[methyl(2-pyridin-3-ylethyl)amino]-6-morpholin-4-ylpyrimidine-4-carboxamide?
N-(cyclopropylmethyl)-2-[methyl(2-pyridin-3-ylethyl)amino]-6-morpholin-4-ylpyrimidine-4-carboxamide has a molecular weight of 396.50 g/mol, XLogP of 1.53, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-[methyl(2-pyridin-3-ylethyl)amino]-6-morpholin-4-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 147249595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).