3-[[6-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]-N-(5-methyl-2-pyridinyl)propanamide

C18H24N6O2 — CID 133301171

IUPAC3-[[6-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]-N-(5-methyl-2-pyridinyl)propanamide
SMILESCc1ccc(NC(=O)CCNc2cc(N3CCCC3CO)ncn2)nc1
InChIInChI=1S/C18H24N6O2/c1-13-4-5-15(20-10-13)23-18(26)6-7-19-16-9-17(22-12-21-16)24-8-2-3-14(24)11-25/h4-5,9-10,12,14,25H,2-3,6-8,11H2,1H3,(H,19,21,22)(H,20,23,26)
InChIKeyCFBPVEHDCQZPNQ-UHFFFAOYSA-N
MW356.43 g/mol
LogP1.58
Rot. Bonds7

About 3-[[6-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]-N-(5-methyl-2-pyridinyl)propanamide

3-[[6-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]-N-(5-methyl-2-pyridinyl)propanamide (PubChem CID 133301171) has the molecular formula C18H24N6O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is 3-[[6-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]-N-(5-methyl-2-pyridinyl)propanamide.

Molecular Properties

Compound Name3-[[6-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]-N-(5-methyl-2-pyridinyl)propanamide
PubChem CID133301171
Molecular FormulaC18H24N6O2
Molecular Weight356.43 g/mol
Exact Mass356.20
IUPAC Name3-[[6-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]-N-(5-methyl-2-pyridinyl)propanamide
SMILESCc1ccc(NC(=O)CCNc2cc(N3CCCC3CO)ncn2)nc1
InChIInChI=1S/C18H24N6O2/c1-13-4-5-15(20-10-13)23-18(26)6-7-19-16-9-17(22-12-21-16)24-8-2-3-14(24)11-25/h4-5,9-10,12,14,25H,2-3,6-8,11H2,1H3,(H,19,21,22)(H,20,23,26)
InChIKeyCFBPVEHDCQZPNQ-UHFFFAOYSA-N
XLogP1.58
TPSA103.27 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

[1-[6-[2-(2,4-dimethylphenyl)ethylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 133299034
N-(5-methyl-2-pyridinyl)-3-[(6-methylpyrimidin-4-yl)amino]propanamide
CID 133301210
[(2R)-1-[6-[2-(4-methoxyphenoxy)ethylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 95763864
[1-[6-[(1-methylcyclopentyl)methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 133293728
[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 80795011
4-[[6-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]-2-phenylbutan-2-ol
CID 133495720
2-[[6-[2-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]amino]acetic acid
CID 122047255
[(2S)-1-[6-[2-(2-methoxyphenoxy)ethylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 95763829
N-[2-[[6-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]ethyl]pyrazine-2-carboxamide
CID 95764071
[(2S)-1-[6-[(5-methylthiophen-2-yl)methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 95763977
2-[[6-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]-1-(3-methylphenyl)ethanol
CID 133375898
[(2R)-1-[6-[2-(3-methoxyphenoxy)ethylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 95763918

Frequently Asked Questions

What is the IUPAC name of 3-[[6-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]-N-(5-methyl-2-pyridinyl)propanamide?
The IUPAC name of 3-[[6-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]-N-(5-methyl-2-pyridinyl)propanamide (CID 133301171) is 3-[[6-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]-N-(5-methyl-2-pyridinyl)propanamide.
What is the SMILES notation for 3-[[6-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]-N-(5-methyl-2-pyridinyl)propanamide?
The canonical SMILES for 3-[[6-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]-N-(5-methyl-2-pyridinyl)propanamide is Cc1ccc(NC(=O)CCNc2cc(N3CCCC3CO)ncn2)nc1.
What is the InChIKey of 3-[[6-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]-N-(5-methyl-2-pyridinyl)propanamide?
The InChIKey is CFBPVEHDCQZPNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O2/c1-13-4-5-15(20-10-13)23-18(26)6-7-19-16-9-17(22-12-21-16)24-8-2-3-14(24)11-25/h4-5,9-10,12,14,25H,2-3,6-8,11H2,1H3,(H,19,21,22)(H,20,23,26).
What are the key properties of 3-[[6-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]-N-(5-methyl-2-pyridinyl)propanamide?
3-[[6-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]-N-(5-methyl-2-pyridinyl)propanamide has a molecular weight of 356.43 g/mol, XLogP of 1.58, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]-N-(5-methyl-2-pyridinyl)propanamide is sourced from PubChem (CID 133301171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).