6-chloro-4-N-cyclopropyl-4-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]pyrimidine-2,4-diamine

C16H19ClN4O — CID 51119638

IUPAC6-chloro-4-N-cyclopropyl-4-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]pyrimidine-2,4-diamine
SMILESCC1CC1c1ccc(CN(c2cc(Cl)nc(N)n2)C2CC2)o1
InChIInChI=1S/C16H19ClN4O/c1-9-6-12(9)13-5-4-11(22-13)8-21(10-2-3-10)15-7-14(17)19-16(18)20-15/h4-5,7,9-10,12H,2-3,6,8H2,1H3,(H2,18,19,20)
InChIKeyFWOMNXJRWRFNSG-UHFFFAOYSA-N
MW318.81 g/mol
LogP3.60
Rot. Bonds5

About 6-chloro-4-N-cyclopropyl-4-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]pyrimidine-2,4-diamine

6-chloro-4-N-cyclopropyl-4-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]pyrimidine-2,4-diamine (PubChem CID 51119638) has the molecular formula C16H19ClN4O and a molecular weight of 318.81 g/mol. Its IUPAC name is 6-chloro-4-N-cyclopropyl-4-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-4-N-cyclopropyl-4-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]pyrimidine-2,4-diamine
PubChem CID51119638
Molecular FormulaC16H19ClN4O
Molecular Weight318.81 g/mol
Exact Mass318.12
IUPAC Name6-chloro-4-N-cyclopropyl-4-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]pyrimidine-2,4-diamine
SMILESCC1CC1c1ccc(CN(c2cc(Cl)nc(N)n2)C2CC2)o1
InChIInChI=1S/C16H19ClN4O/c1-9-6-12(9)13-5-4-11(22-13)8-21(10-2-3-10)15-7-14(17)19-16(18)20-15/h4-5,7,9-10,12H,2-3,6,8H2,1H3,(H2,18,19,20)
InChIKeyFWOMNXJRWRFNSG-UHFFFAOYSA-N
XLogP3.60
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.81
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-cyclopropyl-4-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]pyrimidine-2,4-diamine?
The IUPAC name of 6-chloro-4-N-cyclopropyl-4-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]pyrimidine-2,4-diamine (CID 51119638) is 6-chloro-4-N-cyclopropyl-4-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-chloro-4-N-cyclopropyl-4-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 6-chloro-4-N-cyclopropyl-4-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]pyrimidine-2,4-diamine is CC1CC1c1ccc(CN(c2cc(Cl)nc(N)n2)C2CC2)o1.
What is the InChIKey of 6-chloro-4-N-cyclopropyl-4-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]pyrimidine-2,4-diamine?
The InChIKey is FWOMNXJRWRFNSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O/c1-9-6-12(9)13-5-4-11(22-13)8-21(10-2-3-10)15-7-14(17)19-16(18)20-15/h4-5,7,9-10,12H,2-3,6,8H2,1H3,(H2,18,19,20).
What are the key properties of 6-chloro-4-N-cyclopropyl-4-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]pyrimidine-2,4-diamine?
6-chloro-4-N-cyclopropyl-4-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]pyrimidine-2,4-diamine has a molecular weight of 318.81 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-N-cyclopropyl-4-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 51119638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).