2-chloro-4-N,6-N-bis(2-methylpropyl)pyrimidine-4,6-diamine

C12H21ClN4 — CID 44569029

IUPAC2-chloro-4-N,6-N-bis(2-methylpropyl)pyrimidine-4,6-diamine
SMILESCC(C)CNc1cc(NCC(C)C)nc(Cl)n1
InChIInChI=1S/C12H21ClN4/c1-8(2)6-14-10-5-11(15-7-9(3)4)17-12(13)16-10/h5,8-9H,6-7H2,1-4H3,(H2,14,15,16,17)
InChIKeyZBTQILQCSFZERZ-UHFFFAOYSA-N
MW256.78 g/mol
LogP3.27
Rot. Bonds6

About 2-chloro-4-N,6-N-bis(2-methylpropyl)pyrimidine-4,6-diamine

2-chloro-4-N,6-N-bis(2-methylpropyl)pyrimidine-4,6-diamine (PubChem CID 44569029) has the molecular formula C12H21ClN4 and a molecular weight of 256.78 g/mol. Its IUPAC name is 2-chloro-4-N,6-N-bis(2-methylpropyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-chloro-4-N,6-N-bis(2-methylpropyl)pyrimidine-4,6-diamine
PubChem CID44569029
Molecular FormulaC12H21ClN4
Molecular Weight256.78 g/mol
Exact Mass256.15
IUPAC Name2-chloro-4-N,6-N-bis(2-methylpropyl)pyrimidine-4,6-diamine
SMILESCC(C)CNc1cc(NCC(C)C)nc(Cl)n1
InChIInChI=1S/C12H21ClN4/c1-8(2)6-14-10-5-11(15-7-9(3)4)17-12(13)16-10/h5,8-9H,6-7H2,1-4H3,(H2,14,15,16,17)
InChIKeyZBTQILQCSFZERZ-UHFFFAOYSA-N
XLogP3.27
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.78
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-N,6-N-bis(2-methylpropyl)pyrimidine-4,6-diamine?
The IUPAC name of 2-chloro-4-N,6-N-bis(2-methylpropyl)pyrimidine-4,6-diamine (CID 44569029) is 2-chloro-4-N,6-N-bis(2-methylpropyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 2-chloro-4-N,6-N-bis(2-methylpropyl)pyrimidine-4,6-diamine?
The canonical SMILES for 2-chloro-4-N,6-N-bis(2-methylpropyl)pyrimidine-4,6-diamine is CC(C)CNc1cc(NCC(C)C)nc(Cl)n1.
What is the InChIKey of 2-chloro-4-N,6-N-bis(2-methylpropyl)pyrimidine-4,6-diamine?
The InChIKey is ZBTQILQCSFZERZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21ClN4/c1-8(2)6-14-10-5-11(15-7-9(3)4)17-12(13)16-10/h5,8-9H,6-7H2,1-4H3,(H2,14,15,16,17).
What are the key properties of 2-chloro-4-N,6-N-bis(2-methylpropyl)pyrimidine-4,6-diamine?
2-chloro-4-N,6-N-bis(2-methylpropyl)pyrimidine-4,6-diamine has a molecular weight of 256.78 g/mol, XLogP of 3.27, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-N,6-N-bis(2-methylpropyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 44569029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).