[2-(2-methylpropylamino)pyrimidin-5-yl]-pyrrolidin-1-ylmethanone

C13H20N4O — CID 109248626

IUPAC[2-(2-methylpropylamino)pyrimidin-5-yl]-pyrrolidin-1-ylmethanone
SMILESCC(C)CNc1ncc(C(=O)N2CCCC2)cn1
InChIInChI=1S/C13H20N4O/c1-10(2)7-14-13-15-8-11(9-16-13)12(18)17-5-3-4-6-17/h8-10H,3-7H2,1-2H3,(H,14,15,16)
InChIKeyYMNXVPNDNHATON-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.78
Rot. Bonds4

About [2-(2-methylpropylamino)pyrimidin-5-yl]-pyrrolidin-1-ylmethanone

[2-(2-methylpropylamino)pyrimidin-5-yl]-pyrrolidin-1-ylmethanone (PubChem CID 109248626) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is [2-(2-methylpropylamino)pyrimidin-5-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[2-(2-methylpropylamino)pyrimidin-5-yl]-pyrrolidin-1-ylmethanone
PubChem CID109248626
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name[2-(2-methylpropylamino)pyrimidin-5-yl]-pyrrolidin-1-ylmethanone
SMILESCC(C)CNc1ncc(C(=O)N2CCCC2)cn1
InChIInChI=1S/C13H20N4O/c1-10(2)7-14-13-15-8-11(9-16-13)12(18)17-5-3-4-6-17/h8-10H,3-7H2,1-2H3,(H,14,15,16)
InChIKeyYMNXVPNDNHATON-UHFFFAOYSA-N
XLogP1.78
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(3-methylphenyl)piperazin-1-yl]-[2-(2-methylpropylamino)pyrimidin-5-yl]methanone
CID 109248684
[2-(2-methoxyethylamino)pyrimidin-5-yl]-piperidin-1-ylmethanone
CID 109249905
[5-(2-methylpropylamino)-2-pyridinyl]-piperidin-1-ylmethanone
CID 109181202
[2-(pyridin-2-ylmethylamino)pyrimidin-5-yl]-pyrrolidin-1-ylmethanone
CID 109249233
(2-methylpyrimidin-5-yl)-pyrrolidin-1-ylmethanone
CID 89084134
N-butan-2-yl-2-(2-methylpropylamino)pyrimidine-5-carboxamide
CID 109248625
[2-(1-phenylethylamino)pyrimidin-5-yl]-piperidin-1-ylmethanone
CID 109249920
azepan-1-yl-[2-[(2-fluorophenyl)methylamino]pyrimidin-5-yl]methanone
CID 109257044
[4-(2-methylpropylamino)-2-pyridinyl]-piperidin-1-ylmethanone
CID 109203044
1,4-diazepan-1-yl-[2-[2-(2-methylphenoxy)propylamino]pyrimidin-5-yl]methanone
CID 167933052
[2-(ethylamino)pyrimidin-5-yl]-[4-hydroxy-4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
CID 72880906
[2-(3,5-dimethylanilino)pyrimidin-5-yl]-piperidin-1-ylmethanone
CID 109249992

Frequently Asked Questions

What is the IUPAC name of [2-(2-methylpropylamino)pyrimidin-5-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [2-(2-methylpropylamino)pyrimidin-5-yl]-pyrrolidin-1-ylmethanone (CID 109248626) is [2-(2-methylpropylamino)pyrimidin-5-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [2-(2-methylpropylamino)pyrimidin-5-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [2-(2-methylpropylamino)pyrimidin-5-yl]-pyrrolidin-1-ylmethanone is CC(C)CNc1ncc(C(=O)N2CCCC2)cn1.
What is the InChIKey of [2-(2-methylpropylamino)pyrimidin-5-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is YMNXVPNDNHATON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-10(2)7-14-13-15-8-11(9-16-13)12(18)17-5-3-4-6-17/h8-10H,3-7H2,1-2H3,(H,14,15,16).
What are the key properties of [2-(2-methylpropylamino)pyrimidin-5-yl]-pyrrolidin-1-ylmethanone?
[2-(2-methylpropylamino)pyrimidin-5-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 248.33 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylpropylamino)pyrimidin-5-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 109248626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).