1-cyclopropyl-N-methyl-1-[1-(pyrimidin-2-ylmethyl)pyrrol-3-yl]methanamine

C14H18N4 — CID 79104183

IUPAC1-cyclopropyl-N-methyl-1-[1-(pyrimidin-2-ylmethyl)pyrrol-3-yl]methanamine
SMILESCNC(c1ccn(Cc2ncccn2)c1)C1CC1
InChIInChI=1S/C14H18N4/c1-15-14(11-3-4-11)12-5-8-18(9-12)10-13-16-6-2-7-17-13/h2,5-9,11,14-15H,3-4,10H2,1H3
InChIKeyMCKCMYJKFIPEKH-UHFFFAOYSA-N
MW242.33 g/mol
LogP2.00
Rot. Bonds5

About 1-cyclopropyl-N-methyl-1-[1-(pyrimidin-2-ylmethyl)pyrrol-3-yl]methanamine

1-cyclopropyl-N-methyl-1-[1-(pyrimidin-2-ylmethyl)pyrrol-3-yl]methanamine (PubChem CID 79104183) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is 1-cyclopropyl-N-methyl-1-[1-(pyrimidin-2-ylmethyl)pyrrol-3-yl]methanamine.

Molecular Properties

Compound Name1-cyclopropyl-N-methyl-1-[1-(pyrimidin-2-ylmethyl)pyrrol-3-yl]methanamine
PubChem CID79104183
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name1-cyclopropyl-N-methyl-1-[1-(pyrimidin-2-ylmethyl)pyrrol-3-yl]methanamine
SMILESCNC(c1ccn(Cc2ncccn2)c1)C1CC1
InChIInChI=1S/C14H18N4/c1-15-14(11-3-4-11)12-5-8-18(9-12)10-13-16-6-2-7-17-13/h2,5-9,11,14-15H,3-4,10H2,1H3
InChIKeyMCKCMYJKFIPEKH-UHFFFAOYSA-N
XLogP2.00
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-methyl-1-[1-(pyrimidin-2-ylmethyl)pyrrol-3-yl]methanamine?
The IUPAC name of 1-cyclopropyl-N-methyl-1-[1-(pyrimidin-2-ylmethyl)pyrrol-3-yl]methanamine (CID 79104183) is 1-cyclopropyl-N-methyl-1-[1-(pyrimidin-2-ylmethyl)pyrrol-3-yl]methanamine.
What is the SMILES notation for 1-cyclopropyl-N-methyl-1-[1-(pyrimidin-2-ylmethyl)pyrrol-3-yl]methanamine?
The canonical SMILES for 1-cyclopropyl-N-methyl-1-[1-(pyrimidin-2-ylmethyl)pyrrol-3-yl]methanamine is CNC(c1ccn(Cc2ncccn2)c1)C1CC1.
What is the InChIKey of 1-cyclopropyl-N-methyl-1-[1-(pyrimidin-2-ylmethyl)pyrrol-3-yl]methanamine?
The InChIKey is MCKCMYJKFIPEKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-15-14(11-3-4-11)12-5-8-18(9-12)10-13-16-6-2-7-17-13/h2,5-9,11,14-15H,3-4,10H2,1H3.
What are the key properties of 1-cyclopropyl-N-methyl-1-[1-(pyrimidin-2-ylmethyl)pyrrol-3-yl]methanamine?
1-cyclopropyl-N-methyl-1-[1-(pyrimidin-2-ylmethyl)pyrrol-3-yl]methanamine has a molecular weight of 242.33 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-methyl-1-[1-(pyrimidin-2-ylmethyl)pyrrol-3-yl]methanamine is sourced from PubChem (CID 79104183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).