N-propan-2-yl-4-pyrrolidin-1-ylpyrimidin-2-amine

C11H18N4 — CID 70943141

IUPACN-propan-2-yl-4-pyrrolidin-1-ylpyrimidin-2-amine
SMILESCC(C)Nc1nccc(N2CCCC2)n1
InChIInChI=1S/C11H18N4/c1-9(2)13-11-12-6-5-10(14-11)15-7-3-4-8-15/h5-6,9H,3-4,7-8H2,1-2H3,(H,12,13,14)
InChIKeyOMKMSKMRMBXBJC-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.90
Rot. Bonds3

About N-propan-2-yl-4-pyrrolidin-1-ylpyrimidin-2-amine

N-propan-2-yl-4-pyrrolidin-1-ylpyrimidin-2-amine (PubChem CID 70943141) has the molecular formula C11H18N4 and a molecular weight of 206.29 g/mol. Its IUPAC name is N-propan-2-yl-4-pyrrolidin-1-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-propan-2-yl-4-pyrrolidin-1-ylpyrimidin-2-amine
PubChem CID70943141
Molecular FormulaC11H18N4
Molecular Weight206.29 g/mol
Exact Mass206.15
IUPAC NameN-propan-2-yl-4-pyrrolidin-1-ylpyrimidin-2-amine
SMILESCC(C)Nc1nccc(N2CCCC2)n1
InChIInChI=1S/C11H18N4/c1-9(2)13-11-12-6-5-10(14-11)15-7-3-4-8-15/h5-6,9H,3-4,7-8H2,1-2H3,(H,12,13,14)
InChIKeyOMKMSKMRMBXBJC-UHFFFAOYSA-N
XLogP1.90
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(azepan-1-yl)-N-(1-phenylethyl)pyrimidin-2-amine
CID 112890728
N-(1-phenylethyl)-4-piperidin-1-ylpyrimidin-2-amine
CID 112884450
4-(azepan-1-yl)-N-butan-2-ylpyrimidin-2-amine
CID 112883747
1-[2-(propan-2-ylamino)pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 113193887
N-(2-methylpropyl)-4-pyrrolidin-1-ylpyrimidin-2-amine
CID 112883334
[4-(azocan-1-yl)pyrimidin-2-yl]hydrazine
CID 80932713
4-(azepan-1-yl)-N-tert-butylpyrimidin-2-amine
CID 112899807
4-(4-methylpiperidin-1-yl)-N-(1-phenylethyl)pyrimidin-2-amine
CID 112885071
N-(2-propan-2-yloxyphenyl)-4-pyrrolidin-1-ylpyrimidin-2-amine
CID 112883925
4-(azepan-1-yl)-N-(3,5-dimethylphenyl)pyrimidin-2-amine
CID 112901537
N-ethyl-4-(4-propan-2-ylazepan-1-yl)pyrimidin-2-amine
CID 80836906
5-(azepan-1-yl)-N-propan-2-yl-1,2,4-triazin-3-amine
CID 112938975

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-4-pyrrolidin-1-ylpyrimidin-2-amine?
The IUPAC name of N-propan-2-yl-4-pyrrolidin-1-ylpyrimidin-2-amine (CID 70943141) is N-propan-2-yl-4-pyrrolidin-1-ylpyrimidin-2-amine.
What is the SMILES notation for N-propan-2-yl-4-pyrrolidin-1-ylpyrimidin-2-amine?
The canonical SMILES for N-propan-2-yl-4-pyrrolidin-1-ylpyrimidin-2-amine is CC(C)Nc1nccc(N2CCCC2)n1.
What is the InChIKey of N-propan-2-yl-4-pyrrolidin-1-ylpyrimidin-2-amine?
The InChIKey is OMKMSKMRMBXBJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4/c1-9(2)13-11-12-6-5-10(14-11)15-7-3-4-8-15/h5-6,9H,3-4,7-8H2,1-2H3,(H,12,13,14).
What are the key properties of N-propan-2-yl-4-pyrrolidin-1-ylpyrimidin-2-amine?
N-propan-2-yl-4-pyrrolidin-1-ylpyrimidin-2-amine has a molecular weight of 206.29 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-4-pyrrolidin-1-ylpyrimidin-2-amine is sourced from PubChem (CID 70943141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).