4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-N-(2-methylpropyl)pyrimidin-2-amine

C13H23N5 — CID 58227255

IUPAC4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-N-(2-methylpropyl)pyrimidin-2-amine
SMILESCN[C@@H]1CCN(c2ccnc(NCC(C)C)n2)C1
InChIInChI=1S/C13H23N5/c1-10(2)8-16-13-15-6-4-12(17-13)18-7-5-11(9-18)14-3/h4,6,10-11,14H,5,7-9H2,1-3H3,(H,15,16,17)/t11-/m1/s1
InChIKeyROOXXUYZFBALHV-LLVKDONJSA-N
MW249.36 g/mol
LogP1.34
Rot. Bonds5

About 4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-N-(2-methylpropyl)pyrimidin-2-amine

4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-N-(2-methylpropyl)pyrimidin-2-amine (PubChem CID 58227255) has the molecular formula C13H23N5 and a molecular weight of 249.36 g/mol. Its IUPAC name is 4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-N-(2-methylpropyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-N-(2-methylpropyl)pyrimidin-2-amine
PubChem CID58227255
Molecular FormulaC13H23N5
Molecular Weight249.36 g/mol
Exact Mass249.20
IUPAC Name4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-N-(2-methylpropyl)pyrimidin-2-amine
SMILESCN[C@@H]1CCN(c2ccnc(NCC(C)C)n2)C1
InChIInChI=1S/C13H23N5/c1-10(2)8-16-13-15-6-4-12(17-13)18-7-5-11(9-18)14-3/h4,6,10-11,14H,5,7-9H2,1-3H3,(H,15,16,17)/t11-/m1/s1
InChIKeyROOXXUYZFBALHV-LLVKDONJSA-N
XLogP1.34
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-Pyrimidinyl)piperazine
CID 88747
Adriforant
CID 24745335
(R)-N4-isobutyl-6-(3-(methylamino)pyrrolidin-1-yl)pyrimidine-2,4-diamine
CID 24745337
(R)-N2-isobutyl-6-(3-(methylamino)pyrrolidin-1-yl)pyrimidine-2,4-diamine
CID 54581940
(R)-N4-cyclopentyl-6-(3-(methylamino)pyrrolidin-1-yl)pyrimidine-2,4-diamine
CID 54587790
N1-(4-(azepan-1-yl)pyrimidin-2-yl)ethane-1,2-diamine
CID 10198583
4-(Piperazin-1-yl)pyrimidin-2-amine
CID 19969682
4-(4-Methylpiperazin-1-YL)pyrimidin-2-amine
CID 25128833
6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-2-propan-2-ylpyrimidin-4-amine
CID 44126357
(R)-N4-isopropyl-6-(3-(methylamino)pyrrolidin-1-yl)pyrimidine-2,4-diamine
CID 54584824
n-(3.3-Dimethylbutyl)-n'-[(3r)-pyrrolidin-3-yl]pyrimidine-4,6-diamine
CID 57394626
6-N-(3,3-dimethylbutyl)-4-N-[(3S)-1-methylpyrrolidin-3-yl]pyrimidine-4,6-diamine
CID 57394627

Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-N-(2-methylpropyl)pyrimidin-2-amine?
The IUPAC name of 4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-N-(2-methylpropyl)pyrimidin-2-amine (CID 58227255) is 4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-N-(2-methylpropyl)pyrimidin-2-amine.
What is the SMILES notation for 4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-N-(2-methylpropyl)pyrimidin-2-amine?
The canonical SMILES for 4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-N-(2-methylpropyl)pyrimidin-2-amine is CN[C@@H]1CCN(c2ccnc(NCC(C)C)n2)C1.
What is the InChIKey of 4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-N-(2-methylpropyl)pyrimidin-2-amine?
The InChIKey is ROOXXUYZFBALHV-LLVKDONJSA-N. The full InChI is InChI=1S/C13H23N5/c1-10(2)8-16-13-15-6-4-12(17-13)18-7-5-11(9-18)14-3/h4,6,10-11,14H,5,7-9H2,1-3H3,(H,15,16,17)/t11-/m1/s1.
What are the key properties of 4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-N-(2-methylpropyl)pyrimidin-2-amine?
4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-N-(2-methylpropyl)pyrimidin-2-amine has a molecular weight of 249.36 g/mol, XLogP of 1.34, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-N-(2-methylpropyl)pyrimidin-2-amine is sourced from PubChem (CID 58227255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).