5-chloro-4-N,4-N-bis(cyclopropylmethyl)pyrimidine-2,4-diamine

C12H17ClN4 — CID 80835241

IUPAC5-chloro-4-N,4-N-bis(cyclopropylmethyl)pyrimidine-2,4-diamine
SMILESNc1ncc(Cl)c(N(CC2CC2)CC2CC2)n1
InChIInChI=1S/C12H17ClN4/c13-10-5-15-12(14)16-11(10)17(6-8-1-2-8)7-9-3-4-9/h5,8-9H,1-4,6-7H2,(H2,14,15,16)
InChIKeyIPPAKSNVYDUEES-UHFFFAOYSA-N
MW252.75 g/mol
LogP2.34
Rot. Bonds5

About 5-chloro-4-N,4-N-bis(cyclopropylmethyl)pyrimidine-2,4-diamine

5-chloro-4-N,4-N-bis(cyclopropylmethyl)pyrimidine-2,4-diamine (PubChem CID 80835241) has the molecular formula C12H17ClN4 and a molecular weight of 252.75 g/mol. Its IUPAC name is 5-chloro-4-N,4-N-bis(cyclopropylmethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-chloro-4-N,4-N-bis(cyclopropylmethyl)pyrimidine-2,4-diamine
PubChem CID80835241
Molecular FormulaC12H17ClN4
Molecular Weight252.75 g/mol
Exact Mass252.11
IUPAC Name5-chloro-4-N,4-N-bis(cyclopropylmethyl)pyrimidine-2,4-diamine
SMILESNc1ncc(Cl)c(N(CC2CC2)CC2CC2)n1
InChIInChI=1S/C12H17ClN4/c13-10-5-15-12(14)16-11(10)17(6-8-1-2-8)7-9-3-4-9/h5,8-9H,1-4,6-7H2,(H2,14,15,16)
InChIKeyIPPAKSNVYDUEES-UHFFFAOYSA-N
XLogP2.34
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.75
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-N,4-N-bis(cyclopropylmethyl)pyrimidine-2,4-diamine?
The IUPAC name of 5-chloro-4-N,4-N-bis(cyclopropylmethyl)pyrimidine-2,4-diamine (CID 80835241) is 5-chloro-4-N,4-N-bis(cyclopropylmethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-chloro-4-N,4-N-bis(cyclopropylmethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-chloro-4-N,4-N-bis(cyclopropylmethyl)pyrimidine-2,4-diamine is Nc1ncc(Cl)c(N(CC2CC2)CC2CC2)n1.
What is the InChIKey of 5-chloro-4-N,4-N-bis(cyclopropylmethyl)pyrimidine-2,4-diamine?
The InChIKey is IPPAKSNVYDUEES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN4/c13-10-5-15-12(14)16-11(10)17(6-8-1-2-8)7-9-3-4-9/h5,8-9H,1-4,6-7H2,(H2,14,15,16).
What are the key properties of 5-chloro-4-N,4-N-bis(cyclopropylmethyl)pyrimidine-2,4-diamine?
5-chloro-4-N,4-N-bis(cyclopropylmethyl)pyrimidine-2,4-diamine has a molecular weight of 252.75 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-N,4-N-bis(cyclopropylmethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 80835241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).