4-(3-aminopyrrolidin-1-yl)-6-(propan-2-yloxymethyl)pyrimidin-2-amine

C12H21N5O — CID 66740107

IUPAC4-(3-aminopyrrolidin-1-yl)-6-(propan-2-yloxymethyl)pyrimidin-2-amine
SMILESCC(C)OCc1cc(N2CCC(N)C2)nc(N)n1
InChIInChI=1S/C12H21N5O/c1-8(2)18-7-10-5-11(16-12(14)15-10)17-4-3-9(13)6-17/h5,8-9H,3-4,6-7,13H2,1-2H3,(H2,14,15,16)
InChIKeyCULUDCAKXAZRRX-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.52
Rot. Bonds4

About 4-(3-aminopyrrolidin-1-yl)-6-(propan-2-yloxymethyl)pyrimidin-2-amine

4-(3-aminopyrrolidin-1-yl)-6-(propan-2-yloxymethyl)pyrimidin-2-amine (PubChem CID 66740107) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is 4-(3-aminopyrrolidin-1-yl)-6-(propan-2-yloxymethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(3-aminopyrrolidin-1-yl)-6-(propan-2-yloxymethyl)pyrimidin-2-amine
PubChem CID66740107
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name4-(3-aminopyrrolidin-1-yl)-6-(propan-2-yloxymethyl)pyrimidin-2-amine
SMILESCC(C)OCc1cc(N2CCC(N)C2)nc(N)n1
InChIInChI=1S/C12H21N5O/c1-8(2)18-7-10-5-11(16-12(14)15-10)17-4-3-9(13)6-17/h5,8-9H,3-4,6-7,13H2,1-2H3,(H2,14,15,16)
InChIKeyCULUDCAKXAZRRX-UHFFFAOYSA-N
XLogP0.52
TPSA90.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[3-(methylamino)azetidin-1-yl]-6-(2-methylpropoxymethyl)pyrimidin-2-amine;4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-6-(propan-2-yloxymethyl)pyrimidin-2-amine
CID 162252566
1-[2-(4-chlorophenyl)-6-(methoxymethyl)pyrimidin-4-yl]pyrrolidin-3-amine
CID 56768103
(3R)-1-(2-amino-6-propan-2-yloxypyrimidin-4-yl)pyrrolidin-3-ol
CID 50968139
4-(cyclopropylmethyl)-6-[(3S)-3-methylpiperazin-1-yl]pyrimidin-2-amine
CID 42623653
1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)pyrrolidin-3-amine
CID 110277725
1-[6-(propan-2-yloxymethyl)-2-pyridinyl]pyrrolidin-3-ol
CID 164738532
4-[(3S)-3-aminopyrrolidin-1-yl]pyrimidin-2-amine
CID 59631602
4-[(3S)-3-(methylamino)pyrrolidin-1-yl]-6-propan-2-ylpyrimidin-2-amine
CID 53377888
6-(3-aminopyrrolidin-1-yl)-4-N-[(1R)-2-bicyclo[2.2.1]heptanyl]pyrimidine-2,4-diamine
CID 68551084
6-[(3R)-3-aminopyrrolidin-1-yl]-4-N-(3,4-difluorophenyl)pyrimidine-2,4-diamine
CID 69028705
4-hydrazinyl-6-[3-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-2-amine
CID 80918018
2-(3-aminopyrrolidin-1-yl)-6-(methoxymethyl)-3-methylpyrimidin-4-one
CID 102549316

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminopyrrolidin-1-yl)-6-(propan-2-yloxymethyl)pyrimidin-2-amine?
The IUPAC name of 4-(3-aminopyrrolidin-1-yl)-6-(propan-2-yloxymethyl)pyrimidin-2-amine (CID 66740107) is 4-(3-aminopyrrolidin-1-yl)-6-(propan-2-yloxymethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(3-aminopyrrolidin-1-yl)-6-(propan-2-yloxymethyl)pyrimidin-2-amine?
The canonical SMILES for 4-(3-aminopyrrolidin-1-yl)-6-(propan-2-yloxymethyl)pyrimidin-2-amine is CC(C)OCc1cc(N2CCC(N)C2)nc(N)n1.
What is the InChIKey of 4-(3-aminopyrrolidin-1-yl)-6-(propan-2-yloxymethyl)pyrimidin-2-amine?
The InChIKey is CULUDCAKXAZRRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-8(2)18-7-10-5-11(16-12(14)15-10)17-4-3-9(13)6-17/h5,8-9H,3-4,6-7,13H2,1-2H3,(H2,14,15,16).
What are the key properties of 4-(3-aminopyrrolidin-1-yl)-6-(propan-2-yloxymethyl)pyrimidin-2-amine?
4-(3-aminopyrrolidin-1-yl)-6-(propan-2-yloxymethyl)pyrimidin-2-amine has a molecular weight of 251.33 g/mol, XLogP of 0.52, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminopyrrolidin-1-yl)-6-(propan-2-yloxymethyl)pyrimidin-2-amine is sourced from PubChem (CID 66740107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).