N-[(2-methylpyrrolidin-2-yl)methyl]pyrimidin-4-amine

C10H16N4 — CID 130542673

IUPACN-[(2-methylpyrrolidin-2-yl)methyl]pyrimidin-4-amine
SMILESCC1(CNc2ccncn2)CCCN1
InChIInChI=1S/C10H16N4/c1-10(4-2-5-14-10)7-12-9-3-6-11-8-13-9/h3,6,8,14H,2,4-5,7H2,1H3,(H,11,12,13)
InChIKeyQFHPKXAXCBRQQN-UHFFFAOYSA-N
MW192.27 g/mol
LogP1.03
Rot. Bonds3

About N-[(2-methylpyrrolidin-2-yl)methyl]pyrimidin-4-amine

N-[(2-methylpyrrolidin-2-yl)methyl]pyrimidin-4-amine (PubChem CID 130542673) has the molecular formula C10H16N4 and a molecular weight of 192.27 g/mol. Its IUPAC name is N-[(2-methylpyrrolidin-2-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(2-methylpyrrolidin-2-yl)methyl]pyrimidin-4-amine
PubChem CID130542673
Molecular FormulaC10H16N4
Molecular Weight192.27 g/mol
Exact Mass192.14
IUPAC NameN-[(2-methylpyrrolidin-2-yl)methyl]pyrimidin-4-amine
SMILESCC1(CNc2ccncn2)CCCN1
InChIInChI=1S/C10H16N4/c1-10(4-2-5-14-10)7-12-9-3-6-11-8-13-9/h3,6,8,14H,2,4-5,7H2,1H3,(H,11,12,13)
InChIKeyQFHPKXAXCBRQQN-UHFFFAOYSA-N
XLogP1.03
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.27
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methylpyrrolidin-2-yl)methyl]pyrimidin-4-amine?
The IUPAC name of N-[(2-methylpyrrolidin-2-yl)methyl]pyrimidin-4-amine (CID 130542673) is N-[(2-methylpyrrolidin-2-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for N-[(2-methylpyrrolidin-2-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for N-[(2-methylpyrrolidin-2-yl)methyl]pyrimidin-4-amine is CC1(CNc2ccncn2)CCCN1.
What is the InChIKey of N-[(2-methylpyrrolidin-2-yl)methyl]pyrimidin-4-amine?
The InChIKey is QFHPKXAXCBRQQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4/c1-10(4-2-5-14-10)7-12-9-3-6-11-8-13-9/h3,6,8,14H,2,4-5,7H2,1H3,(H,11,12,13).
What are the key properties of N-[(2-methylpyrrolidin-2-yl)methyl]pyrimidin-4-amine?
N-[(2-methylpyrrolidin-2-yl)methyl]pyrimidin-4-amine has a molecular weight of 192.27 g/mol, XLogP of 1.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylpyrrolidin-2-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 130542673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).