N-[6-[2-(oxan-4-ylmethylamino)pyrimidin-4-yl]pyrimidin-4-yl]pyrrolidine-3-carboxamide

C19H25N7O2 — CID 123708142

IUPACN-[6-[2-(oxan-4-ylmethylamino)pyrimidin-4-yl]pyrimidin-4-yl]pyrrolidine-3-carboxamide
SMILESO=C(Nc1cc(-c2ccnc(NCC3CCOCC3)n2)ncn1)C1CCNC1
InChIInChI=1S/C19H25N7O2/c27-18(14-1-5-20-11-14)26-17-9-16(23-12-24-17)15-2-6-21-19(25-15)22-10-13-3-7-28-8-4-13/h2,6,9,12-14,20H,1,3-5,7-8,10-11H2,(H,21,22,25)(H,23,24,26,27)
InChIKeyFSHQFVCQGMIGDD-UHFFFAOYSA-N
MW383.46 g/mol
LogP1.32
Rot. Bonds6

About N-[6-[2-(oxan-4-ylmethylamino)pyrimidin-4-yl]pyrimidin-4-yl]pyrrolidine-3-carboxamide

N-[6-[2-(oxan-4-ylmethylamino)pyrimidin-4-yl]pyrimidin-4-yl]pyrrolidine-3-carboxamide (PubChem CID 123708142) has the molecular formula C19H25N7O2 and a molecular weight of 383.46 g/mol. Its IUPAC name is N-[6-[2-(oxan-4-ylmethylamino)pyrimidin-4-yl]pyrimidin-4-yl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[6-[2-(oxan-4-ylmethylamino)pyrimidin-4-yl]pyrimidin-4-yl]pyrrolidine-3-carboxamide
PubChem CID123708142
Molecular FormulaC19H25N7O2
Molecular Weight383.46 g/mol
Exact Mass383.21
IUPAC NameN-[6-[2-(oxan-4-ylmethylamino)pyrimidin-4-yl]pyrimidin-4-yl]pyrrolidine-3-carboxamide
SMILESO=C(Nc1cc(-c2ccnc(NCC3CCOCC3)n2)ncn1)C1CCNC1
InChIInChI=1S/C19H25N7O2/c27-18(14-1-5-20-11-14)26-17-9-16(23-12-24-17)15-2-6-21-19(25-15)22-10-13-3-7-28-8-4-13/h2,6,9,12-14,20H,1,3-5,7-8,10-11H2,(H,21,22,25)(H,23,24,26,27)
InChIKeyFSHQFVCQGMIGDD-UHFFFAOYSA-N
XLogP1.32
TPSA113.95 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.46
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

N-[6-[6-(oxan-4-ylmethylamino)pyrimidin-4-yl]pyrimidin-4-yl]pyrrolidine-3-carboxamide
CID 123306855
N-[4-[2-(oxan-4-ylmethylamino)pyrimidin-4-yl]pyrimidin-2-yl]piperidine-3-carboxamide
CID 123845961
N-[6-[4-[[2-[[4-[(2,2-dimethyloxan-4-yl)methylamino]-6-[6-(pyrrolidine-3-carbonylamino)pyrimidin-4-yl]-2-pyridinyl]methyl]-2-methyloxan-4-yl]methylamino]-2-pyridinyl]pyrimidin-4-yl]piperidine-3-carboxamide
CID 123593204
(3S,6S)-6-methyl-N-[4-[6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]piperidine-3-carboxamide
CID 123680055
(3S)-N-[5-chloro-4-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]-2-pyridinyl]piperidine-3-carboxamide
CID 67033459
N-[5-fluoro-4-[6-(oxan-4-ylmethylamino)pyridazin-4-yl]-2-pyridinyl]piperidine-3-carboxamide
CID 123410226
N-[5-chloro-4-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]-2-pyridinyl]-1,4-oxazepane-6-carboxamide
CID 77407667
(3S,6S)-6-ethyl-N-[4-[5-fluoro-6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]piperidine-3-carboxamide
CID 123967854
N-(5-morpholin-4-yl-2-pyridinyl)pyrrolidine-3-carboxamide
CID 119842040
N-[6-(2-methoxyphenyl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 25227433
N-[5-chloro-4-[3-fluoro-6-(oxan-4-ylmethylamino)pyrazin-2-yl]-2-pyridinyl]-1,4-oxazepane-6-carboxamide
CID 77407659
N-[4-[2-(4-fluoroanilino)-4-pyridinyl]-2-pyridinyl]pyrrolidine-3-carboxamide
CID 67062284

Frequently Asked Questions

What is the IUPAC name of N-[6-[2-(oxan-4-ylmethylamino)pyrimidin-4-yl]pyrimidin-4-yl]pyrrolidine-3-carboxamide?
The IUPAC name of N-[6-[2-(oxan-4-ylmethylamino)pyrimidin-4-yl]pyrimidin-4-yl]pyrrolidine-3-carboxamide (CID 123708142) is N-[6-[2-(oxan-4-ylmethylamino)pyrimidin-4-yl]pyrimidin-4-yl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[6-[2-(oxan-4-ylmethylamino)pyrimidin-4-yl]pyrimidin-4-yl]pyrrolidine-3-carboxamide?
The canonical SMILES for N-[6-[2-(oxan-4-ylmethylamino)pyrimidin-4-yl]pyrimidin-4-yl]pyrrolidine-3-carboxamide is O=C(Nc1cc(-c2ccnc(NCC3CCOCC3)n2)ncn1)C1CCNC1.
What is the InChIKey of N-[6-[2-(oxan-4-ylmethylamino)pyrimidin-4-yl]pyrimidin-4-yl]pyrrolidine-3-carboxamide?
The InChIKey is FSHQFVCQGMIGDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N7O2/c27-18(14-1-5-20-11-14)26-17-9-16(23-12-24-17)15-2-6-21-19(25-15)22-10-13-3-7-28-8-4-13/h2,6,9,12-14,20H,1,3-5,7-8,10-11H2,(H,21,22,25)(H,23,24,26,27).
What are the key properties of N-[6-[2-(oxan-4-ylmethylamino)pyrimidin-4-yl]pyrimidin-4-yl]pyrrolidine-3-carboxamide?
N-[6-[2-(oxan-4-ylmethylamino)pyrimidin-4-yl]pyrimidin-4-yl]pyrrolidine-3-carboxamide has a molecular weight of 383.46 g/mol, XLogP of 1.32, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[2-(oxan-4-ylmethylamino)pyrimidin-4-yl]pyrimidin-4-yl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 123708142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).