4-N-[1-(aminomethyl)cyclohexyl]-2-chloropyrimidine-4,5-diamine

C11H18ClN5 — CID 138616081

IUPAC4-N-[1-(aminomethyl)cyclohexyl]-2-chloropyrimidine-4,5-diamine
SMILESNCC1(Nc2nc(Cl)ncc2N)CCCCC1
InChIInChI=1S/C11H18ClN5/c12-10-15-6-8(14)9(16-10)17-11(7-13)4-2-1-3-5-11/h6H,1-5,7,13-14H2,(H,15,16,17)
InChIKeyRSPSNYUDPHJBPN-UHFFFAOYSA-N
MW255.75 g/mol
LogP1.79
Rot. Bonds3

About 4-N-[1-(aminomethyl)cyclohexyl]-2-chloropyrimidine-4,5-diamine

4-N-[1-(aminomethyl)cyclohexyl]-2-chloropyrimidine-4,5-diamine (PubChem CID 138616081) has the molecular formula C11H18ClN5 and a molecular weight of 255.75 g/mol. Its IUPAC name is 4-N-[1-(aminomethyl)cyclohexyl]-2-chloropyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-[1-(aminomethyl)cyclohexyl]-2-chloropyrimidine-4,5-diamine
PubChem CID138616081
Molecular FormulaC11H18ClN5
Molecular Weight255.75 g/mol
Exact Mass255.13
IUPAC Name4-N-[1-(aminomethyl)cyclohexyl]-2-chloropyrimidine-4,5-diamine
SMILESNCC1(Nc2nc(Cl)ncc2N)CCCCC1
InChIInChI=1S/C11H18ClN5/c12-10-15-6-8(14)9(16-10)17-11(7-13)4-2-1-3-5-11/h6H,1-5,7,13-14H2,(H,15,16,17)
InChIKeyRSPSNYUDPHJBPN-UHFFFAOYSA-N
XLogP1.79
TPSA89.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-Cyclopentylpyrimidin-5-amine
CID 49758795
2-Cyclohexylpyrimidin-5-amine
CID 43142237
N~2~-({1-[ethyl(methyl)amino]cyclohexyl}methyl)-N~4~-methylpyrimidine-2,4-diamine diformate
CID 132414974
N1-(2-chloro-5-fluoropyrimidin-4-yl)-5-methylcyclohexane-1,3-diamine
CID 86667457
N-[[4-(aminomethyl)cyclohexyl]methyl]-2-chloro-5-fluoropyrimidin-4-amine
CID 89154726
4-chloro-2-(trifluoromethyl)pyrimidin-5-amine;N-methylcyclohexanamine
CID 142292861
methanamine;4-N-[4-(trifluoromethyl)cyclohexyl]pyrimidine-4,5-diamine
CID 142292904
N-[(1S,3S)-3-(aminomethyl)cyclohexyl]-2-chloro-5-fluoropyrimidin-4-amine
CID 142796667
1-[2-(Trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decane
CID 155202039
N-hexylpyrimidin-5-amine
CID 107587638
7-Dimethyl-5,6,7,8-tetrahydropteridine hydrochloride
CID 129674435
2-chloro-5-fluoro-N-[(4-methylcyclohexyl)methyl]pyrimidin-4-amine
CID 79075577

Frequently Asked Questions

What is the IUPAC name of 4-N-[1-(aminomethyl)cyclohexyl]-2-chloropyrimidine-4,5-diamine?
The IUPAC name of 4-N-[1-(aminomethyl)cyclohexyl]-2-chloropyrimidine-4,5-diamine (CID 138616081) is 4-N-[1-(aminomethyl)cyclohexyl]-2-chloropyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-[1-(aminomethyl)cyclohexyl]-2-chloropyrimidine-4,5-diamine?
The canonical SMILES for 4-N-[1-(aminomethyl)cyclohexyl]-2-chloropyrimidine-4,5-diamine is NCC1(Nc2nc(Cl)ncc2N)CCCCC1.
What is the InChIKey of 4-N-[1-(aminomethyl)cyclohexyl]-2-chloropyrimidine-4,5-diamine?
The InChIKey is RSPSNYUDPHJBPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN5/c12-10-15-6-8(14)9(16-10)17-11(7-13)4-2-1-3-5-11/h6H,1-5,7,13-14H2,(H,15,16,17).
What are the key properties of 4-N-[1-(aminomethyl)cyclohexyl]-2-chloropyrimidine-4,5-diamine?
4-N-[1-(aminomethyl)cyclohexyl]-2-chloropyrimidine-4,5-diamine has a molecular weight of 255.75 g/mol, XLogP of 1.79, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[1-(aminomethyl)cyclohexyl]-2-chloropyrimidine-4,5-diamine is sourced from PubChem (CID 138616081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).