2-chloro-N,N-bis(2-methylpropyl)pyrimidin-4-amine

C12H20ClN3 — CID 62343656

IUPAC2-chloro-N,N-bis(2-methylpropyl)pyrimidin-4-amine
SMILESCC(C)CN(CC(C)C)c1ccnc(Cl)n1
InChIInChI=1S/C12H20ClN3/c1-9(2)7-16(8-10(3)4)11-5-6-14-12(13)15-11/h5-6,9-10H,7-8H2,1-4H3
InChIKeyFEMWSRNPEBXHLZ-UHFFFAOYSA-N
MW241.77 g/mol
LogP3.25
Rot. Bonds5

About 2-chloro-N,N-bis(2-methylpropyl)pyrimidin-4-amine

2-chloro-N,N-bis(2-methylpropyl)pyrimidin-4-amine (PubChem CID 62343656) has the molecular formula C12H20ClN3 and a molecular weight of 241.77 g/mol. Its IUPAC name is 2-chloro-N,N-bis(2-methylpropyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N,N-bis(2-methylpropyl)pyrimidin-4-amine
PubChem CID62343656
Molecular FormulaC12H20ClN3
Molecular Weight241.77 g/mol
Exact Mass241.13
IUPAC Name2-chloro-N,N-bis(2-methylpropyl)pyrimidin-4-amine
SMILESCC(C)CN(CC(C)C)c1ccnc(Cl)n1
InChIInChI=1S/C12H20ClN3/c1-9(2)7-16(8-10(3)4)11-5-6-14-12(13)15-11/h5-6,9-10H,7-8H2,1-4H3
InChIKeyFEMWSRNPEBXHLZ-UHFFFAOYSA-N
XLogP3.25
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.77
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N,N-bis(2-methylpropyl)pyrimidin-4-amine?
The IUPAC name of 2-chloro-N,N-bis(2-methylpropyl)pyrimidin-4-amine (CID 62343656) is 2-chloro-N,N-bis(2-methylpropyl)pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N,N-bis(2-methylpropyl)pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N,N-bis(2-methylpropyl)pyrimidin-4-amine is CC(C)CN(CC(C)C)c1ccnc(Cl)n1.
What is the InChIKey of 2-chloro-N,N-bis(2-methylpropyl)pyrimidin-4-amine?
The InChIKey is FEMWSRNPEBXHLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClN3/c1-9(2)7-16(8-10(3)4)11-5-6-14-12(13)15-11/h5-6,9-10H,7-8H2,1-4H3.
What are the key properties of 2-chloro-N,N-bis(2-methylpropyl)pyrimidin-4-amine?
2-chloro-N,N-bis(2-methylpropyl)pyrimidin-4-amine has a molecular weight of 241.77 g/mol, XLogP of 3.25, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N,N-bis(2-methylpropyl)pyrimidin-4-amine is sourced from PubChem (CID 62343656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).