4-N-pyrimidin-2-ylcyclohexane-1,4-diamine;hydrochloride

C10H17ClN4 — CID 71643877

IUPAC4-N-pyrimidin-2-ylcyclohexane-1,4-diamine;hydrochloride
SMILESCl.NC1CCC(Nc2ncccn2)CC1
InChIInChI=1S/C10H16N4.ClH/c11-8-2-4-9(5-3-8)14-10-12-6-1-7-13-10;/h1,6-9H,2-5,11H2,(H,12,13,14);1H
InChIKeyOBUCBGNHAVKMKN-UHFFFAOYSA-N
MW228.73 g/mol
LogP1.58
Rot. Bonds2

About 4-N-pyrimidin-2-ylcyclohexane-1,4-diamine;hydrochloride

4-N-pyrimidin-2-ylcyclohexane-1,4-diamine;hydrochloride (PubChem CID 71643877) has the molecular formula C10H17ClN4 and a molecular weight of 228.73 g/mol. Its IUPAC name is 4-N-pyrimidin-2-ylcyclohexane-1,4-diamine;hydrochloride.

Molecular Properties

Compound Name4-N-pyrimidin-2-ylcyclohexane-1,4-diamine;hydrochloride
PubChem CID71643877
Molecular FormulaC10H17ClN4
Molecular Weight228.73 g/mol
Exact Mass228.11
IUPAC Name4-N-pyrimidin-2-ylcyclohexane-1,4-diamine;hydrochloride
SMILESCl.NC1CCC(Nc2ncccn2)CC1
InChIInChI=1S/C10H16N4.ClH/c11-8-2-4-9(5-3-8)14-10-12-6-1-7-13-10;/h1,6-9H,2-5,11H2,(H,12,13,14);1H
InChIKeyOBUCBGNHAVKMKN-UHFFFAOYSA-N
XLogP1.58
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.73
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclobutylpyrimidin-2-amine
CID 45080152
4-N-(5-methylpyrimidin-2-yl)cyclohexane-1,4-diamine
CID 63208372
4-N-tert-butyl-1-N-pyrimidin-2-ylcyclohexane-1,4-diamine
CID 155223125
4-N-[4-(trifluoromethyl)pyrimidin-2-yl]cyclohexane-1,4-diamine
CID 18460887
N-(1-iodopiperidin-4-yl)pyrimidin-2-amine
CID 164956065
4-N-[5-(1H-pyrrol-2-yl)pyrimidin-2-yl]cyclohexane-1,4-diamine
CID 116974949
4-N-(4,6-dimethylpyrimidin-2-yl)cyclohexane-1,4-diamine
CID 62319423
4-N-(3-methoxy-2-pyridinyl)cyclohexane-1,4-diamine
CID 83838435
2-N-cyclopropylpyrimidine-2,5-diamine
CID 59381911
N-(1-methylpyrrolidin-3-yl)pyrimidin-2-amine
CID 61464985
N-(oxan-4-yl)pyrimidin-2-amine;propane
CID 144986361
4-N-pyrazin-2-ylcyclohexane-1,4-diamine
CID 56965635

Frequently Asked Questions

What is the IUPAC name of 4-N-pyrimidin-2-ylcyclohexane-1,4-diamine;hydrochloride?
The IUPAC name of 4-N-pyrimidin-2-ylcyclohexane-1,4-diamine;hydrochloride (CID 71643877) is 4-N-pyrimidin-2-ylcyclohexane-1,4-diamine;hydrochloride.
What is the SMILES notation for 4-N-pyrimidin-2-ylcyclohexane-1,4-diamine;hydrochloride?
The canonical SMILES for 4-N-pyrimidin-2-ylcyclohexane-1,4-diamine;hydrochloride is Cl.NC1CCC(Nc2ncccn2)CC1.
What is the InChIKey of 4-N-pyrimidin-2-ylcyclohexane-1,4-diamine;hydrochloride?
The InChIKey is OBUCBGNHAVKMKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4.ClH/c11-8-2-4-9(5-3-8)14-10-12-6-1-7-13-10;/h1,6-9H,2-5,11H2,(H,12,13,14);1H.
What are the key properties of 4-N-pyrimidin-2-ylcyclohexane-1,4-diamine;hydrochloride?
4-N-pyrimidin-2-ylcyclohexane-1,4-diamine;hydrochloride has a molecular weight of 228.73 g/mol, XLogP of 1.58, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-pyrimidin-2-ylcyclohexane-1,4-diamine;hydrochloride is sourced from PubChem (CID 71643877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).