N-[2-(chloromethyl)cyclohexyl]-4-propan-2-yloxypyrimidin-2-amine

C14H22ClN3O — CID 106365613

IUPACN-[2-(chloromethyl)cyclohexyl]-4-propan-2-yloxypyrimidin-2-amine
SMILESCC(C)Oc1ccnc(NC2CCCCC2CCl)n1
InChIInChI=1S/C14H22ClN3O/c1-10(2)19-13-7-8-16-14(18-13)17-12-6-4-3-5-11(12)9-15/h7-8,10-12H,3-6,9H2,1-2H3,(H,16,17,18)
InChIKeyNETBGSQSHMFPRR-UHFFFAOYSA-N
MW283.80 g/mol
LogP3.47
Rot. Bonds5

About N-[2-(chloromethyl)cyclohexyl]-4-propan-2-yloxypyrimidin-2-amine

N-[2-(chloromethyl)cyclohexyl]-4-propan-2-yloxypyrimidin-2-amine (PubChem CID 106365613) has the molecular formula C14H22ClN3O and a molecular weight of 283.80 g/mol. Its IUPAC name is N-[2-(chloromethyl)cyclohexyl]-4-propan-2-yloxypyrimidin-2-amine.

Molecular Properties

Compound NameN-[2-(chloromethyl)cyclohexyl]-4-propan-2-yloxypyrimidin-2-amine
PubChem CID106365613
Molecular FormulaC14H22ClN3O
Molecular Weight283.80 g/mol
Exact Mass283.15
IUPAC NameN-[2-(chloromethyl)cyclohexyl]-4-propan-2-yloxypyrimidin-2-amine
SMILESCC(C)Oc1ccnc(NC2CCCCC2CCl)n1
InChIInChI=1S/C14H22ClN3O/c1-10(2)19-13-7-8-16-14(18-13)17-12-6-4-3-5-11(12)9-15/h7-8,10-12H,3-6,9H2,1-2H3,(H,16,17,18)
InChIKeyNETBGSQSHMFPRR-UHFFFAOYSA-N
XLogP3.47
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-cycloheptyl-4-propan-2-yloxypyrimidin-2-amine
CID 112636624
4-ethoxy-N-[2-[(3R)-1-methylpiperidin-3-yl]ethyl]pyrimidin-2-amine
CID 125447536
4-ethoxy-N-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]pyrimidin-2-amine
CID 129614777
2-Chloro-4-piperidin-4-yloxypyrimidine
CID 28875884
2-Chloro-4-((4-methylcyclohexyl)oxy)pyrimidine
CID 62338307
4-methoxy-N-(4-methylcyclohexyl)pyrimidin-2-amine
CID 66995665
N-(4-methylcyclohexyl)-4-(oxetan-3-yloxy)pyrimidin-2-amine
CID 66996277
N-(4-methylcyclohexyl)-4-[(3R)-oxolan-3-yl]oxypyrimidin-2-amine
CID 66996334
N-(4-methylcyclohexyl)-4-(oxolan-3-yloxy)pyrimidin-2-amine
CID 66996335
4-piperidin-4-yloxy-N-propan-2-ylpyrimidin-2-amine
CID 70248190
4-(1-methylpiperidin-4-yl)oxy-N-propan-2-ylpyrimidin-2-amine
CID 70252015
N-(4-methylcyclohexyl)-4-[(3-methyloxetan-3-yl)methoxy]pyrimidin-2-amine
CID 71108011

Frequently Asked Questions

What is the IUPAC name of N-[2-(chloromethyl)cyclohexyl]-4-propan-2-yloxypyrimidin-2-amine?
The IUPAC name of N-[2-(chloromethyl)cyclohexyl]-4-propan-2-yloxypyrimidin-2-amine (CID 106365613) is N-[2-(chloromethyl)cyclohexyl]-4-propan-2-yloxypyrimidin-2-amine.
What is the SMILES notation for N-[2-(chloromethyl)cyclohexyl]-4-propan-2-yloxypyrimidin-2-amine?
The canonical SMILES for N-[2-(chloromethyl)cyclohexyl]-4-propan-2-yloxypyrimidin-2-amine is CC(C)Oc1ccnc(NC2CCCCC2CCl)n1.
What is the InChIKey of N-[2-(chloromethyl)cyclohexyl]-4-propan-2-yloxypyrimidin-2-amine?
The InChIKey is NETBGSQSHMFPRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O/c1-10(2)19-13-7-8-16-14(18-13)17-12-6-4-3-5-11(12)9-15/h7-8,10-12H,3-6,9H2,1-2H3,(H,16,17,18).
What are the key properties of N-[2-(chloromethyl)cyclohexyl]-4-propan-2-yloxypyrimidin-2-amine?
N-[2-(chloromethyl)cyclohexyl]-4-propan-2-yloxypyrimidin-2-amine has a molecular weight of 283.80 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(chloromethyl)cyclohexyl]-4-propan-2-yloxypyrimidin-2-amine is sourced from PubChem (CID 106365613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).