N-methyl-1-pyrimidin-4-yl-1-(1H-pyrrol-2-yl)methanamine

C10H12N4 — CID 130528839

IUPACN-methyl-1-pyrimidin-4-yl-1-(1H-pyrrol-2-yl)methanamine
SMILESCNC(c1ccncn1)c1ccc[nH]1
InChIInChI=1S/C10H12N4/c1-11-10(8-3-2-5-13-8)9-4-6-12-7-14-9/h2-7,10-11,13H,1H3
InChIKeyDQGUQJMCMPZAQT-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.11
Rot. Bonds3

About N-methyl-1-pyrimidin-4-yl-1-(1H-pyrrol-2-yl)methanamine

N-methyl-1-pyrimidin-4-yl-1-(1H-pyrrol-2-yl)methanamine (PubChem CID 130528839) has the molecular formula C10H12N4 and a molecular weight of 188.23 g/mol. Its IUPAC name is N-methyl-1-pyrimidin-4-yl-1-(1H-pyrrol-2-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-pyrimidin-4-yl-1-(1H-pyrrol-2-yl)methanamine
PubChem CID130528839
Molecular FormulaC10H12N4
Molecular Weight188.23 g/mol
Exact Mass188.11
IUPAC NameN-methyl-1-pyrimidin-4-yl-1-(1H-pyrrol-2-yl)methanamine
SMILESCNC(c1ccncn1)c1ccc[nH]1
InChIInChI=1S/C10H12N4/c1-11-10(8-3-2-5-13-8)9-4-6-12-7-14-9/h2-7,10-11,13H,1H3
InChIKeyDQGUQJMCMPZAQT-UHFFFAOYSA-N
XLogP1.11
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-pyrimidin-4-yl-1-(1H-pyrrol-2-yl)methanamine?
The IUPAC name of N-methyl-1-pyrimidin-4-yl-1-(1H-pyrrol-2-yl)methanamine (CID 130528839) is N-methyl-1-pyrimidin-4-yl-1-(1H-pyrrol-2-yl)methanamine.
What is the SMILES notation for N-methyl-1-pyrimidin-4-yl-1-(1H-pyrrol-2-yl)methanamine?
The canonical SMILES for N-methyl-1-pyrimidin-4-yl-1-(1H-pyrrol-2-yl)methanamine is CNC(c1ccncn1)c1ccc[nH]1.
What is the InChIKey of N-methyl-1-pyrimidin-4-yl-1-(1H-pyrrol-2-yl)methanamine?
The InChIKey is DQGUQJMCMPZAQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4/c1-11-10(8-3-2-5-13-8)9-4-6-12-7-14-9/h2-7,10-11,13H,1H3.
What are the key properties of N-methyl-1-pyrimidin-4-yl-1-(1H-pyrrol-2-yl)methanamine?
N-methyl-1-pyrimidin-4-yl-1-(1H-pyrrol-2-yl)methanamine has a molecular weight of 188.23 g/mol, XLogP of 1.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-pyrimidin-4-yl-1-(1H-pyrrol-2-yl)methanamine is sourced from PubChem (CID 130528839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).