N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-1-cyclopropyl-N-(cyclopropylmethyl)methanamine

C14H20ClN3 — CID 80663537

IUPACN-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-1-cyclopropyl-N-(cyclopropylmethyl)methanamine
SMILESCc1cc(Cl)nc(CN(CC2CC2)CC2CC2)n1
InChIInChI=1S/C14H20ClN3/c1-10-6-13(15)17-14(16-10)9-18(7-11-2-3-11)8-12-4-5-12/h6,11-12H,2-5,7-9H2,1H3
InChIKeyJSSARQHAICAXPE-UHFFFAOYSA-N
MW265.79 g/mol
LogP3.06
Rot. Bonds6

About N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-1-cyclopropyl-N-(cyclopropylmethyl)methanamine

N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-1-cyclopropyl-N-(cyclopropylmethyl)methanamine (PubChem CID 80663537) has the molecular formula C14H20ClN3 and a molecular weight of 265.79 g/mol. Its IUPAC name is N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-1-cyclopropyl-N-(cyclopropylmethyl)methanamine.

Molecular Properties

Compound NameN-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-1-cyclopropyl-N-(cyclopropylmethyl)methanamine
PubChem CID80663537
Molecular FormulaC14H20ClN3
Molecular Weight265.79 g/mol
Exact Mass265.13
IUPAC NameN-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-1-cyclopropyl-N-(cyclopropylmethyl)methanamine
SMILESCc1cc(Cl)nc(CN(CC2CC2)CC2CC2)n1
InChIInChI=1S/C14H20ClN3/c1-10-6-13(15)17-14(16-10)9-18(7-11-2-3-11)8-12-4-5-12/h6,11-12H,2-5,7-9H2,1H3
InChIKeyJSSARQHAICAXPE-UHFFFAOYSA-N
XLogP3.06
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.79
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-1-cyclopropyl-N-(cyclopropylmethyl)methanamine?
The IUPAC name of N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-1-cyclopropyl-N-(cyclopropylmethyl)methanamine (CID 80663537) is N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-1-cyclopropyl-N-(cyclopropylmethyl)methanamine.
What is the SMILES notation for N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-1-cyclopropyl-N-(cyclopropylmethyl)methanamine?
The canonical SMILES for N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-1-cyclopropyl-N-(cyclopropylmethyl)methanamine is Cc1cc(Cl)nc(CN(CC2CC2)CC2CC2)n1.
What is the InChIKey of N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-1-cyclopropyl-N-(cyclopropylmethyl)methanamine?
The InChIKey is JSSARQHAICAXPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3/c1-10-6-13(15)17-14(16-10)9-18(7-11-2-3-11)8-12-4-5-12/h6,11-12H,2-5,7-9H2,1H3.
What are the key properties of N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-1-cyclopropyl-N-(cyclopropylmethyl)methanamine?
N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-1-cyclopropyl-N-(cyclopropylmethyl)methanamine has a molecular weight of 265.79 g/mol, XLogP of 3.06, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-1-cyclopropyl-N-(cyclopropylmethyl)methanamine is sourced from PubChem (CID 80663537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).