2-methyl-2-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methylamino]propan-1-ol

C13H22N4O — CID 102536454

IUPAC2-methyl-2-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methylamino]propan-1-ol
SMILESCC(C)(CO)NCc1cnc(N2CCCC2)nc1
InChIInChI=1S/C13H22N4O/c1-13(2,10-18)16-9-11-7-14-12(15-8-11)17-5-3-4-6-17/h7-8,16,18H,3-6,9-10H2,1-2H3
InChIKeyNMTRICCLNQNSCT-UHFFFAOYSA-N
MW250.35 g/mol
LogP0.94
Rot. Bonds5

About 2-methyl-2-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methylamino]propan-1-ol

2-methyl-2-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methylamino]propan-1-ol (PubChem CID 102536454) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 2-methyl-2-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methylamino]propan-1-ol.

Molecular Properties

Compound Name2-methyl-2-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methylamino]propan-1-ol
PubChem CID102536454
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name2-methyl-2-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methylamino]propan-1-ol
SMILESCC(C)(CO)NCc1cnc(N2CCCC2)nc1
InChIInChI=1S/C13H22N4O/c1-13(2,10-18)16-9-11-7-14-12(15-8-11)17-5-3-4-6-17/h7-8,16,18H,3-6,9-10H2,1-2H3
InChIKeyNMTRICCLNQNSCT-UHFFFAOYSA-N
XLogP0.94
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-methyl-2-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methylamino]propan-1-ol with MolForge

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Related Compounds

3-[(2-Amino-5-methylpyrimidin-4-yl)-methylamino]-2,2-dimethylpropan-1-ol
CID 122516796
3-[(2-Amino-5-methylpyrimidin-4-yl)amino]-2,2-dimethylpropan-1-ol
CID 115366465
(1-{3-[(5-Methylpyrimidin-2-YL)amino]propyl}piperidin-2-YL)methanol
CID 72882614
5-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)pyrimidin-2-amine
CID 72935483
2-Amino-3-(5-methylpyrimidin-2-yl)propan-1-ol
CID 138991302
1-[(5-Methylpyrimidin-2-yl)amino]-3-piperidin-1-ylpropan-2-ol
CID 72838276
1-[(2-Amino-5-ethylpyrimidin-4-YL)amino]-3-(dimethylamino)propan-2-OL
CID 72854104
1-[(2-Amino-5-methylpyrimidin-4-yl)amino]-3-piperidin-1-ylpropan-2-ol
CID 72934373
1-{[2-(Dimethylamino)pyrimidin-5-YL]methyl}-3-(hydroxymethyl)pyrrolidin-3-OL
CID 77089256
(3S)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-1-propan-2-ylpyrrolidin-3-amine
CID 95598765
[(2R)-1-[[2-(propylamino)pyrimidin-5-yl]methyl]azepan-2-yl]methanol
CID 99960942
rac-(3S,4S)-4-methoxy-1-{[2-(propylamino)pyrimidin-5-yl]methyl}pyrrolidin-3-ol
CID 129611971

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methylamino]propan-1-ol?
The IUPAC name of 2-methyl-2-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methylamino]propan-1-ol (CID 102536454) is 2-methyl-2-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methylamino]propan-1-ol.
What is the SMILES notation for 2-methyl-2-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methylamino]propan-1-ol?
The canonical SMILES for 2-methyl-2-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methylamino]propan-1-ol is CC(C)(CO)NCc1cnc(N2CCCC2)nc1.
What is the InChIKey of 2-methyl-2-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methylamino]propan-1-ol?
The InChIKey is NMTRICCLNQNSCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-13(2,10-18)16-9-11-7-14-12(15-8-11)17-5-3-4-6-17/h7-8,16,18H,3-6,9-10H2,1-2H3.
What are the key properties of 2-methyl-2-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methylamino]propan-1-ol?
2-methyl-2-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methylamino]propan-1-ol has a molecular weight of 250.35 g/mol, XLogP of 0.94, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methylamino]propan-1-ol is sourced from PubChem (CID 102536454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).