2-[3-[(2-amino-6-chloropyrimidin-4-yl)amino]propyl]cyclohexan-1-ol

C13H21ClN4O — CID 133384998

IUPAC2-[3-[(2-amino-6-chloropyrimidin-4-yl)amino]propyl]cyclohexan-1-ol
SMILESNc1nc(Cl)cc(NCCCC2CCCCC2O)n1
InChIInChI=1S/C13H21ClN4O/c14-11-8-12(18-13(15)17-11)16-7-3-5-9-4-1-2-6-10(9)19/h8-10,19H,1-7H2,(H3,15,16,17,18)
InChIKeyTUZFYRXQYUTAHN-UHFFFAOYSA-N
MW284.79 g/mol
LogP2.46
Rot. Bonds5

About 2-[3-[(2-amino-6-chloropyrimidin-4-yl)amino]propyl]cyclohexan-1-ol

2-[3-[(2-amino-6-chloropyrimidin-4-yl)amino]propyl]cyclohexan-1-ol (PubChem CID 133384998) has the molecular formula C13H21ClN4O and a molecular weight of 284.79 g/mol. Its IUPAC name is 2-[3-[(2-amino-6-chloropyrimidin-4-yl)amino]propyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[3-[(2-amino-6-chloropyrimidin-4-yl)amino]propyl]cyclohexan-1-ol
PubChem CID133384998
Molecular FormulaC13H21ClN4O
Molecular Weight284.79 g/mol
Exact Mass284.14
IUPAC Name2-[3-[(2-amino-6-chloropyrimidin-4-yl)amino]propyl]cyclohexan-1-ol
SMILESNc1nc(Cl)cc(NCCCC2CCCCC2O)n1
InChIInChI=1S/C13H21ClN4O/c14-11-8-12(18-13(15)17-11)16-7-3-5-9-4-1-2-6-10(9)19/h8-10,19H,1-7H2,(H3,15,16,17,18)
InChIKeyTUZFYRXQYUTAHN-UHFFFAOYSA-N
XLogP2.46
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

cis-(1S,2R)-2-[(2-amino-6-chloropyrimidin-4-yl)amino]cyclohexan-1-ol
CID 52840167
6-chloro-4-N-[2-[cyclopentyl(methyl)amino]ethyl]pyrimidine-2,4-diamine
CID 78942098
6-chloro-4-N-dodecylpyrimidine-2,4-diamine
CID 15428977
5-[(2-amino-6-chloropyrimidin-4-yl)amino]pentan-2-ol
CID 107269286
6-chloro-4-N-(4,4,4-trifluorobutyl)pyrimidine-2,4-diamine
CID 79040692
5-[(2-amino-6-chloropyrimidin-4-yl)amino]-2-methylpentan-1-ol
CID 103858567
6-[(2-amino-6-chloropyrimidin-4-yl)amino]hexanoate
CID 7013708
2-[[(2-tert-butyl-6-chloropyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 80950997
2-[[(6-chloro-2-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 80951072
6-chloro-N-(3-cyclopentylpropyl)-2-propan-2-ylpyrimidin-4-amine
CID 106013954
2-[3-[[6-(trifluoromethyl)pyridazin-3-yl]amino]propyl]cyclohexan-1-ol
CID 133421323
6-chloro-2-cyclopropyl-N-(3-cyclopropylpropyl)pyrimidin-4-amine
CID 115875632

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2-amino-6-chloropyrimidin-4-yl)amino]propyl]cyclohexan-1-ol?
The IUPAC name of 2-[3-[(2-amino-6-chloropyrimidin-4-yl)amino]propyl]cyclohexan-1-ol (CID 133384998) is 2-[3-[(2-amino-6-chloropyrimidin-4-yl)amino]propyl]cyclohexan-1-ol.
What is the SMILES notation for 2-[3-[(2-amino-6-chloropyrimidin-4-yl)amino]propyl]cyclohexan-1-ol?
The canonical SMILES for 2-[3-[(2-amino-6-chloropyrimidin-4-yl)amino]propyl]cyclohexan-1-ol is Nc1nc(Cl)cc(NCCCC2CCCCC2O)n1.
What is the InChIKey of 2-[3-[(2-amino-6-chloropyrimidin-4-yl)amino]propyl]cyclohexan-1-ol?
The InChIKey is TUZFYRXQYUTAHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN4O/c14-11-8-12(18-13(15)17-11)16-7-3-5-9-4-1-2-6-10(9)19/h8-10,19H,1-7H2,(H3,15,16,17,18).
What are the key properties of 2-[3-[(2-amino-6-chloropyrimidin-4-yl)amino]propyl]cyclohexan-1-ol?
2-[3-[(2-amino-6-chloropyrimidin-4-yl)amino]propyl]cyclohexan-1-ol has a molecular weight of 284.79 g/mol, XLogP of 2.46, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2-amino-6-chloropyrimidin-4-yl)amino]propyl]cyclohexan-1-ol is sourced from PubChem (CID 133384998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).