2-(cyclopropylmethyl)-N-[(4-cyclopropyl-3-methylphenyl)methyl]pyrimidin-5-amine

C19H23N3 — CID 166384633

IUPAC2-(cyclopropylmethyl)-N-[(4-cyclopropyl-3-methylphenyl)methyl]pyrimidin-5-amine
SMILESCc1cc(CNc2cnc(CC3CC3)nc2)ccc1C1CC1
InChIInChI=1S/C19H23N3/c1-13-8-15(4-7-18(13)16-5-6-16)10-20-17-11-21-19(22-12-17)9-14-2-3-14/h4,7-8,11-12,14,16,20H,2-3,5-6,9-10H2,1H3
InChIKeyCDTNWWJZDMQLCK-UHFFFAOYSA-N
MW293.41 g/mol
LogP4.23
Rot. Bonds6

About 2-(cyclopropylmethyl)-N-[(4-cyclopropyl-3-methylphenyl)methyl]pyrimidin-5-amine

2-(cyclopropylmethyl)-N-[(4-cyclopropyl-3-methylphenyl)methyl]pyrimidin-5-amine (PubChem CID 166384633) has the molecular formula C19H23N3 and a molecular weight of 293.41 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)-N-[(4-cyclopropyl-3-methylphenyl)methyl]pyrimidin-5-amine.

Molecular Properties

Compound Name2-(cyclopropylmethyl)-N-[(4-cyclopropyl-3-methylphenyl)methyl]pyrimidin-5-amine
PubChem CID166384633
Molecular FormulaC19H23N3
Molecular Weight293.41 g/mol
Exact Mass293.19
IUPAC Name2-(cyclopropylmethyl)-N-[(4-cyclopropyl-3-methylphenyl)methyl]pyrimidin-5-amine
SMILESCc1cc(CNc2cnc(CC3CC3)nc2)ccc1C1CC1
InChIInChI=1S/C19H23N3/c1-13-8-15(4-7-18(13)16-5-6-16)10-20-17-11-21-19(22-12-17)9-14-2-3-14/h4,7-8,11-12,14,16,20H,2-3,5-6,9-10H2,1H3
InChIKeyCDTNWWJZDMQLCK-UHFFFAOYSA-N
XLogP4.23
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethyl)-N-[(4-cyclopropyl-3-methylphenyl)methyl]pyrimidin-5-amine?
The IUPAC name of 2-(cyclopropylmethyl)-N-[(4-cyclopropyl-3-methylphenyl)methyl]pyrimidin-5-amine (CID 166384633) is 2-(cyclopropylmethyl)-N-[(4-cyclopropyl-3-methylphenyl)methyl]pyrimidin-5-amine.
What is the SMILES notation for 2-(cyclopropylmethyl)-N-[(4-cyclopropyl-3-methylphenyl)methyl]pyrimidin-5-amine?
The canonical SMILES for 2-(cyclopropylmethyl)-N-[(4-cyclopropyl-3-methylphenyl)methyl]pyrimidin-5-amine is Cc1cc(CNc2cnc(CC3CC3)nc2)ccc1C1CC1.
What is the InChIKey of 2-(cyclopropylmethyl)-N-[(4-cyclopropyl-3-methylphenyl)methyl]pyrimidin-5-amine?
The InChIKey is CDTNWWJZDMQLCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3/c1-13-8-15(4-7-18(13)16-5-6-16)10-20-17-11-21-19(22-12-17)9-14-2-3-14/h4,7-8,11-12,14,16,20H,2-3,5-6,9-10H2,1H3.
What are the key properties of 2-(cyclopropylmethyl)-N-[(4-cyclopropyl-3-methylphenyl)methyl]pyrimidin-5-amine?
2-(cyclopropylmethyl)-N-[(4-cyclopropyl-3-methylphenyl)methyl]pyrimidin-5-amine has a molecular weight of 293.41 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethyl)-N-[(4-cyclopropyl-3-methylphenyl)methyl]pyrimidin-5-amine is sourced from PubChem (CID 166384633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).