6-chloro-4-N-(cyclopropylmethyl)-4-N-propylpyrimidine-2,4-diamine

C11H17ClN4 — CID 80735508

IUPAC6-chloro-4-N-(cyclopropylmethyl)-4-N-propylpyrimidine-2,4-diamine
SMILESCCCN(CC1CC1)c1cc(Cl)nc(N)n1
InChIInChI=1S/C11H17ClN4/c1-2-5-16(7-8-3-4-8)10-6-9(12)14-11(13)15-10/h6,8H,2-5,7H2,1H3,(H2,13,14,15)
InChIKeyDQGDVGGXVCWCFE-UHFFFAOYSA-N
MW240.74 g/mol
LogP2.34
Rot. Bonds5

About 6-chloro-4-N-(cyclopropylmethyl)-4-N-propylpyrimidine-2,4-diamine

6-chloro-4-N-(cyclopropylmethyl)-4-N-propylpyrimidine-2,4-diamine (PubChem CID 80735508) has the molecular formula C11H17ClN4 and a molecular weight of 240.74 g/mol. Its IUPAC name is 6-chloro-4-N-(cyclopropylmethyl)-4-N-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-4-N-(cyclopropylmethyl)-4-N-propylpyrimidine-2,4-diamine
PubChem CID80735508
Molecular FormulaC11H17ClN4
Molecular Weight240.74 g/mol
Exact Mass240.11
IUPAC Name6-chloro-4-N-(cyclopropylmethyl)-4-N-propylpyrimidine-2,4-diamine
SMILESCCCN(CC1CC1)c1cc(Cl)nc(N)n1
InChIInChI=1S/C11H17ClN4/c1-2-5-16(7-8-3-4-8)10-6-9(12)14-11(13)15-10/h6,8H,2-5,7H2,1H3,(H2,13,14,15)
InChIKeyDQGDVGGXVCWCFE-UHFFFAOYSA-N
XLogP2.34
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.74
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-(cyclopropylmethyl)-4-N-propylpyrimidine-2,4-diamine?
The IUPAC name of 6-chloro-4-N-(cyclopropylmethyl)-4-N-propylpyrimidine-2,4-diamine (CID 80735508) is 6-chloro-4-N-(cyclopropylmethyl)-4-N-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 6-chloro-4-N-(cyclopropylmethyl)-4-N-propylpyrimidine-2,4-diamine?
The canonical SMILES for 6-chloro-4-N-(cyclopropylmethyl)-4-N-propylpyrimidine-2,4-diamine is CCCN(CC1CC1)c1cc(Cl)nc(N)n1.
What is the InChIKey of 6-chloro-4-N-(cyclopropylmethyl)-4-N-propylpyrimidine-2,4-diamine?
The InChIKey is DQGDVGGXVCWCFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN4/c1-2-5-16(7-8-3-4-8)10-6-9(12)14-11(13)15-10/h6,8H,2-5,7H2,1H3,(H2,13,14,15).
What are the key properties of 6-chloro-4-N-(cyclopropylmethyl)-4-N-propylpyrimidine-2,4-diamine?
6-chloro-4-N-(cyclopropylmethyl)-4-N-propylpyrimidine-2,4-diamine has a molecular weight of 240.74 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 6-chloro-4-N-(cyclopropylmethyl)-4-N-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 80735508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).