6-chloro-4-N-propyl-2-N-prop-2-ynylpyrimidine-2,4-diamine

C10H13ClN4 — CID 90175589

IUPAC6-chloro-4-N-propyl-2-N-prop-2-ynylpyrimidine-2,4-diamine
SMILESC#CCNc1nc(Cl)cc(NCCC)n1
InChIInChI=1S/C10H13ClN4/c1-3-5-12-9-7-8(11)14-10(15-9)13-6-4-2/h2,7H,3,5-6H2,1H3,(H2,12,13,14,15)
InChIKeyBIZNWXFWFNQNEO-UHFFFAOYSA-N
MW224.69 g/mol
LogP2.00
Rot. Bonds5

About 6-chloro-4-N-propyl-2-N-prop-2-ynylpyrimidine-2,4-diamine

6-chloro-4-N-propyl-2-N-prop-2-ynylpyrimidine-2,4-diamine (PubChem CID 90175589) has the molecular formula C10H13ClN4 and a molecular weight of 224.69 g/mol. Its IUPAC name is 6-chloro-4-N-propyl-2-N-prop-2-ynylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-4-N-propyl-2-N-prop-2-ynylpyrimidine-2,4-diamine
PubChem CID90175589
Molecular FormulaC10H13ClN4
Molecular Weight224.69 g/mol
Exact Mass224.08
IUPAC Name6-chloro-4-N-propyl-2-N-prop-2-ynylpyrimidine-2,4-diamine
SMILESC#CCNc1nc(Cl)cc(NCCC)n1
InChIInChI=1S/C10H13ClN4/c1-3-5-12-9-7-8(11)14-10(15-9)13-6-4-2/h2,7H,3,5-6H2,1H3,(H2,12,13,14,15)
InChIKeyBIZNWXFWFNQNEO-UHFFFAOYSA-N
XLogP2.00
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.69
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

6-chloro-2-methyl-N-propylpyrimidin-4-amine
CID 11074100
2-N,2-N-dimethyl-6-N-propyl-4-N-prop-2-ynyl-1,3,5-triazine-2,4,6-triamine
CID 90159200
6-chloro-2-N-propylpyrimidine-2,4-diamine
CID 19073886
4-N-methoxy-4-N-methyl-2-N-propyl-6-N-prop-2-ynylpyrimidine-2,4,6-triamine;hydrochloride
CID 118432305
2-N-methoxy-6-N-propyl-4-N-prop-2-ynyl-1,3,5-triazine-2,4,6-triamine
CID 118432263
4-N,4-N-dimethyl-2-N,6-N-dipropylpyrimidine-2,4,6-triamine
CID 57103016
2-N-[(2-chlorophenyl)methyl]-6-methyl-4-N-propylpyrimidine-2,4-diamine
CID 112906838
2-tert-butyl-6-chloro-N-pent-4-ynylpyrimidin-4-amine
CID 106223105
6-chloro-4-N-propyl-2-N-prop-2-ynyl-1,3,5-triazine-2,4-diamine;ethoxyethane;methanamine;bis(6-N-methyl-4-N-propyl-2-N-prop-2-ynyl-1,3,5-triazine-2,4,6-triamine);dihydrochloride
CID 159712859
2-N-(3,4-dichlorophenyl)-4-N-propylpyrimidine-2,4-diamine
CID 112881906
2-N-(2-chlorophenyl)-4-N-propylpyrimidine-2,4-diamine
CID 112881842
N-(6-chloro-2-methylpyrimidin-4-yl)-N'-ethyl-N'-propylethane-1,2-diamine
CID 103721020

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-propyl-2-N-prop-2-ynylpyrimidine-2,4-diamine?
The IUPAC name of 6-chloro-4-N-propyl-2-N-prop-2-ynylpyrimidine-2,4-diamine (CID 90175589) is 6-chloro-4-N-propyl-2-N-prop-2-ynylpyrimidine-2,4-diamine.
What is the SMILES notation for 6-chloro-4-N-propyl-2-N-prop-2-ynylpyrimidine-2,4-diamine?
The canonical SMILES for 6-chloro-4-N-propyl-2-N-prop-2-ynylpyrimidine-2,4-diamine is C#CCNc1nc(Cl)cc(NCCC)n1.
What is the InChIKey of 6-chloro-4-N-propyl-2-N-prop-2-ynylpyrimidine-2,4-diamine?
The InChIKey is BIZNWXFWFNQNEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN4/c1-3-5-12-9-7-8(11)14-10(15-9)13-6-4-2/h2,7H,3,5-6H2,1H3,(H2,12,13,14,15).
What are the key properties of 6-chloro-4-N-propyl-2-N-prop-2-ynylpyrimidine-2,4-diamine?
6-chloro-4-N-propyl-2-N-prop-2-ynylpyrimidine-2,4-diamine has a molecular weight of 224.69 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-N-propyl-2-N-prop-2-ynylpyrimidine-2,4-diamine is sourced from PubChem (CID 90175589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).