N-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]pyrimidin-4-amine

C17H22N4 — CID 97139068

IUPACN-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]pyrimidin-4-amine
SMILESCc1ccccc1[C@H]1CCN(CCNc2ccncn2)C1
InChIInChI=1S/C17H22N4/c1-14-4-2-3-5-16(14)15-7-10-21(12-15)11-9-19-17-6-8-18-13-20-17/h2-6,8,13,15H,7,9-12H2,1H3,(H,18,19,20)/t15-/m0/s1
InChIKeyIIBFEKKRCMHWKH-HNNXBMFYSA-N
MW282.39 g/mol
LogP2.69
Rot. Bonds5

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

N-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]pyrimidin-4-amine (PubChem CID 97139068) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is N-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]pyrimidin-4-amine
PubChem CID97139068
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC NameN-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]pyrimidin-4-amine
SMILESCc1ccccc1[C@H]1CCN(CCNc2ccncn2)C1
InChIInChI=1S/C17H22N4/c1-14-4-2-3-5-16(14)15-7-10-21(12-15)11-9-19-17-6-8-18-13-20-17/h2-6,8,13,15H,7,9-12H2,1H3,(H,18,19,20)/t15-/m0/s1
InChIKeyIIBFEKKRCMHWKH-HNNXBMFYSA-N
XLogP2.69
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]pyrimidin-4-amine?
The IUPAC name of N-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]pyrimidin-4-amine (CID 97139068) is N-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]pyrimidin-4-amine.
What is the SMILES notation for N-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]pyrimidin-4-amine?
The canonical SMILES for N-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]pyrimidin-4-amine is Cc1ccccc1[C@H]1CCN(CCNc2ccncn2)C1.
What is the InChIKey of N-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]pyrimidin-4-amine?
The InChIKey is IIBFEKKRCMHWKH-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H22N4/c1-14-4-2-3-5-16(14)15-7-10-21(12-15)11-9-19-17-6-8-18-13-20-17/h2-6,8,13,15H,7,9-12H2,1H3,(H,18,19,20)/t15-/m0/s1.
What are the key properties of N-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]pyrimidin-4-amine?
N-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]pyrimidin-4-amine has a molecular weight of 282.39 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]pyrimidin-4-amine is sourced from PubChem (CID 97139068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).