4-[(3R)-3-aminopyrrolidin-1-yl]-6-pyrrolidin-1-ylpyrimidin-2-amine

C12H20N6 — CID 54587792

IUPAC4-[(3R)-3-aminopyrrolidin-1-yl]-6-pyrrolidin-1-ylpyrimidin-2-amine
SMILESNc1nc(N2CCCC2)cc(N2CC[C@@H](N)C2)n1
InChIInChI=1S/C12H20N6/c13-9-3-6-18(8-9)11-7-10(15-12(14)16-11)17-4-1-2-5-17/h7,9H,1-6,8,13H2,(H2,14,15,16)/t9-/m1/s1
InChIKeyUQIYRRQVNCKGGE-SECBINFHSA-N
MW248.33 g/mol
LogP0.20
Rot. Bonds2

About 4-[(3R)-3-aminopyrrolidin-1-yl]-6-pyrrolidin-1-ylpyrimidin-2-amine

4-[(3R)-3-aminopyrrolidin-1-yl]-6-pyrrolidin-1-ylpyrimidin-2-amine (PubChem CID 54587792) has the molecular formula C12H20N6 and a molecular weight of 248.33 g/mol. Its IUPAC name is 4-[(3R)-3-aminopyrrolidin-1-yl]-6-pyrrolidin-1-ylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[(3R)-3-aminopyrrolidin-1-yl]-6-pyrrolidin-1-ylpyrimidin-2-amine
PubChem CID54587792
Molecular FormulaC12H20N6
Molecular Weight248.33 g/mol
Exact Mass248.17
IUPAC Name4-[(3R)-3-aminopyrrolidin-1-yl]-6-pyrrolidin-1-ylpyrimidin-2-amine
SMILESNc1nc(N2CCCC2)cc(N2CC[C@@H](N)C2)n1
InChIInChI=1S/C12H20N6/c13-9-3-6-18(8-9)11-7-10(15-12(14)16-11)17-4-1-2-5-17/h7,9H,1-6,8,13H2,(H2,14,15,16)/t9-/m1/s1
InChIKeyUQIYRRQVNCKGGE-SECBINFHSA-N
XLogP0.20
TPSA84.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Adriforant
CID 24745335
6-(4-Methylpiperazin-1-yl)pyrimidine-2,4-diamine
CID 753256
N4-Methyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine
CID 25129179
4-N-(2,2-dimethylpropyl)-6-[3-(methylamino)azetidin-1-yl]pyrimidine-2,4-diamine
CID 16202258
(R)-N4-isobutyl-6-(3-(methylamino)pyrrolidin-1-yl)pyrimidine-2,4-diamine
CID 24745337
n4-Cyclopentyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine
CID 24797598
4-(Piperazin-1-yl)-2,6-di(pyrrolidin-1-yl)pyrimidine
CID 14585243
(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
4-N-methyl-6-pyrrolidin-1-ylpyrimidine-2,4-diamine
CID 21749035
N4-(3,3-dimethylbutyl)-6-(3-(methylamino)azetidin-1-yl)pyrimidine-2,4-diamine
CID 24745506
4-methyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 24994945

Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-3-aminopyrrolidin-1-yl]-6-pyrrolidin-1-ylpyrimidin-2-amine?
The IUPAC name of 4-[(3R)-3-aminopyrrolidin-1-yl]-6-pyrrolidin-1-ylpyrimidin-2-amine (CID 54587792) is 4-[(3R)-3-aminopyrrolidin-1-yl]-6-pyrrolidin-1-ylpyrimidin-2-amine.
What is the SMILES notation for 4-[(3R)-3-aminopyrrolidin-1-yl]-6-pyrrolidin-1-ylpyrimidin-2-amine?
The canonical SMILES for 4-[(3R)-3-aminopyrrolidin-1-yl]-6-pyrrolidin-1-ylpyrimidin-2-amine is Nc1nc(N2CCCC2)cc(N2CC[C@@H](N)C2)n1.
What is the InChIKey of 4-[(3R)-3-aminopyrrolidin-1-yl]-6-pyrrolidin-1-ylpyrimidin-2-amine?
The InChIKey is UQIYRRQVNCKGGE-SECBINFHSA-N. The full InChI is InChI=1S/C12H20N6/c13-9-3-6-18(8-9)11-7-10(15-12(14)16-11)17-4-1-2-5-17/h7,9H,1-6,8,13H2,(H2,14,15,16)/t9-/m1/s1.
What are the key properties of 4-[(3R)-3-aminopyrrolidin-1-yl]-6-pyrrolidin-1-ylpyrimidin-2-amine?
4-[(3R)-3-aminopyrrolidin-1-yl]-6-pyrrolidin-1-ylpyrimidin-2-amine has a molecular weight of 248.33 g/mol, XLogP of 0.20, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-3-aminopyrrolidin-1-yl]-6-pyrrolidin-1-ylpyrimidin-2-amine is sourced from PubChem (CID 54587792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).