2-N-(2-chloro-5-fluoropyrimidin-4-yl)cyclohexane-1,2-diamine

C10H14ClFN4 — CID 88589836

IUPAC2-N-(2-chloro-5-fluoropyrimidin-4-yl)cyclohexane-1,2-diamine
SMILESNC1CCCCC1Nc1nc(Cl)ncc1F
InChIInChI=1S/C10H14ClFN4/c11-10-14-5-6(12)9(16-10)15-8-4-2-1-3-7(8)13/h5,7-8H,1-4,13H2,(H,14,15,16)
InChIKeySIDWWXZOYXTANX-UHFFFAOYSA-N
MW244.70 g/mol
LogP1.95
Rot. Bonds2

About 2-N-(2-chloro-5-fluoropyrimidin-4-yl)cyclohexane-1,2-diamine

2-N-(2-chloro-5-fluoropyrimidin-4-yl)cyclohexane-1,2-diamine (PubChem CID 88589836) has the molecular formula C10H14ClFN4 and a molecular weight of 244.70 g/mol. Its IUPAC name is 2-N-(2-chloro-5-fluoropyrimidin-4-yl)cyclohexane-1,2-diamine.

Molecular Properties

Compound Name2-N-(2-chloro-5-fluoropyrimidin-4-yl)cyclohexane-1,2-diamine
PubChem CID88589836
Molecular FormulaC10H14ClFN4
Molecular Weight244.70 g/mol
Exact Mass244.09
IUPAC Name2-N-(2-chloro-5-fluoropyrimidin-4-yl)cyclohexane-1,2-diamine
SMILESNC1CCCCC1Nc1nc(Cl)ncc1F
InChIInChI=1S/C10H14ClFN4/c11-10-14-5-6(12)9(16-10)15-8-4-2-1-3-7(8)13/h5,7-8H,1-4,13H2,(H,14,15,16)
InChIKeySIDWWXZOYXTANX-UHFFFAOYSA-N
XLogP1.95
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.70
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-cyclohexyl-5-fluoropyrimidin-4-amine
CID 3573094
trans-(1R,2R)-2-N-(5-chloro-3-fluoro-2-pyridinyl)cyclohexane-1,2-diamine
CID 102738799
4-N-(2-chloro-5-fluoropyrimidin-4-yl)cyclohexane-1,4-diamine
CID 89143426
1-N-(2-chloro-5-fluoropyrimidin-4-yl)cyclohexane-1,3-diamine
CID 88544926
1-N-(2-chloro-5-fluoropyrimidin-4-yl)cyclohexane-1,3-diamine;hydrochloride
CID 175069422
2-chloro-N-(2-ethyl-3-methoxycyclohexyl)-5-fluoropyrimidin-4-amine
CID 90950055
N-(2-bicyclo[2.2.1]heptanyl)-2-chloro-5-fluoropyrimidin-4-amine
CID 79075583
cis-(2S,6R)-2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-6-methoxycyclohexan-1-ol
CID 88589933
2-chloro-N-(1,1-dioxothian-4-yl)-5-fluoropyrimidin-4-amine
CID 79080718
2-chloro-5-fluoro-N-piperidin-4-ylpyrimidin-4-amine
CID 59210379
3-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-2-hydroxy-1-methylcyclohexane-1-carboxylic acid
CID 141284485
[2-[[(2-chloro-5-fluoropyrimidin-4-yl)amino]methyl]cyclohexyl]methanol
CID 79076621

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-chloro-5-fluoropyrimidin-4-yl)cyclohexane-1,2-diamine?
The IUPAC name of 2-N-(2-chloro-5-fluoropyrimidin-4-yl)cyclohexane-1,2-diamine (CID 88589836) is 2-N-(2-chloro-5-fluoropyrimidin-4-yl)cyclohexane-1,2-diamine.
What is the SMILES notation for 2-N-(2-chloro-5-fluoropyrimidin-4-yl)cyclohexane-1,2-diamine?
The canonical SMILES for 2-N-(2-chloro-5-fluoropyrimidin-4-yl)cyclohexane-1,2-diamine is NC1CCCCC1Nc1nc(Cl)ncc1F.
What is the InChIKey of 2-N-(2-chloro-5-fluoropyrimidin-4-yl)cyclohexane-1,2-diamine?
The InChIKey is SIDWWXZOYXTANX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClFN4/c11-10-14-5-6(12)9(16-10)15-8-4-2-1-3-7(8)13/h5,7-8H,1-4,13H2,(H,14,15,16).
What are the key properties of 2-N-(2-chloro-5-fluoropyrimidin-4-yl)cyclohexane-1,2-diamine?
2-N-(2-chloro-5-fluoropyrimidin-4-yl)cyclohexane-1,2-diamine has a molecular weight of 244.70 g/mol, XLogP of 1.95, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-chloro-5-fluoropyrimidin-4-yl)cyclohexane-1,2-diamine is sourced from PubChem (CID 88589836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).