4-N-cyclopropyl-4-N-(cyclopropylmethyl)-2-ethyl-6-N-methylpyrimidine-4,6-diamine

C14H22N4 — CID 80941086

IUPAC4-N-cyclopropyl-4-N-(cyclopropylmethyl)-2-ethyl-6-N-methylpyrimidine-4,6-diamine
SMILESCCc1nc(NC)cc(N(CC2CC2)C2CC2)n1
InChIInChI=1S/C14H22N4/c1-3-12-16-13(15-2)8-14(17-12)18(11-6-7-11)9-10-4-5-10/h8,10-11H,3-7,9H2,1-2H3,(H,15,16,17)
InChIKeyUFAAAKMPPOVGKY-UHFFFAOYSA-N
MW246.36 g/mol
LogP2.46
Rot. Bonds6

About 4-N-cyclopropyl-4-N-(cyclopropylmethyl)-2-ethyl-6-N-methylpyrimidine-4,6-diamine

4-N-cyclopropyl-4-N-(cyclopropylmethyl)-2-ethyl-6-N-methylpyrimidine-4,6-diamine (PubChem CID 80941086) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is 4-N-cyclopropyl-4-N-(cyclopropylmethyl)-2-ethyl-6-N-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-cyclopropyl-4-N-(cyclopropylmethyl)-2-ethyl-6-N-methylpyrimidine-4,6-diamine
PubChem CID80941086
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC Name4-N-cyclopropyl-4-N-(cyclopropylmethyl)-2-ethyl-6-N-methylpyrimidine-4,6-diamine
SMILESCCc1nc(NC)cc(N(CC2CC2)C2CC2)n1
InChIInChI=1S/C14H22N4/c1-3-12-16-13(15-2)8-14(17-12)18(11-6-7-11)9-10-4-5-10/h8,10-11H,3-7,9H2,1-2H3,(H,15,16,17)
InChIKeyUFAAAKMPPOVGKY-UHFFFAOYSA-N
XLogP2.46
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopropyl-4-N-(cyclopropylmethyl)-2-ethyl-6-N-methylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-cyclopropyl-4-N-(cyclopropylmethyl)-2-ethyl-6-N-methylpyrimidine-4,6-diamine (CID 80941086) is 4-N-cyclopropyl-4-N-(cyclopropylmethyl)-2-ethyl-6-N-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-cyclopropyl-4-N-(cyclopropylmethyl)-2-ethyl-6-N-methylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-cyclopropyl-4-N-(cyclopropylmethyl)-2-ethyl-6-N-methylpyrimidine-4,6-diamine is CCc1nc(NC)cc(N(CC2CC2)C2CC2)n1.
What is the InChIKey of 4-N-cyclopropyl-4-N-(cyclopropylmethyl)-2-ethyl-6-N-methylpyrimidine-4,6-diamine?
The InChIKey is UFAAAKMPPOVGKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-3-12-16-13(15-2)8-14(17-12)18(11-6-7-11)9-10-4-5-10/h8,10-11H,3-7,9H2,1-2H3,(H,15,16,17).
What are the key properties of 4-N-cyclopropyl-4-N-(cyclopropylmethyl)-2-ethyl-6-N-methylpyrimidine-4,6-diamine?
4-N-cyclopropyl-4-N-(cyclopropylmethyl)-2-ethyl-6-N-methylpyrimidine-4,6-diamine has a molecular weight of 246.36 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopropyl-4-N-(cyclopropylmethyl)-2-ethyl-6-N-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 80941086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).