4-[(1S,3R)-3-methoxycyclohexyl]oxypyrimidin-2-amine

C11H17N3O2 — CID 97052965

IUPAC4-[(1S,3R)-3-methoxycyclohexyl]oxypyrimidin-2-amine
SMILESCO[C@@H]1CCC[C@H](Oc2ccnc(N)n2)C1
InChIInChI=1S/C11H17N3O2/c1-15-8-3-2-4-9(7-8)16-10-5-6-13-11(12)14-10/h5-6,8-9H,2-4,7H2,1H3,(H2,12,13,14)/t8-,9+/m1/s1
InChIKeyUCUBNYFFAAJULV-BDAKNGLRSA-N
MW223.28 g/mol
LogP1.40
Rot. Bonds3

About 4-[(1S,3R)-3-methoxycyclohexyl]oxypyrimidin-2-amine

4-[(1S,3R)-3-methoxycyclohexyl]oxypyrimidin-2-amine (PubChem CID 97052965) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 4-[(1S,3R)-3-methoxycyclohexyl]oxypyrimidin-2-amine.

Molecular Properties

Compound Name4-[(1S,3R)-3-methoxycyclohexyl]oxypyrimidin-2-amine
PubChem CID97052965
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name4-[(1S,3R)-3-methoxycyclohexyl]oxypyrimidin-2-amine
SMILESCO[C@@H]1CCC[C@H](Oc2ccnc(N)n2)C1
InChIInChI=1S/C11H17N3O2/c1-15-8-3-2-4-9(7-8)16-10-5-6-13-11(12)14-10/h5-6,8-9H,2-4,7H2,1H3,(H2,12,13,14)/t8-,9+/m1/s1
InChIKeyUCUBNYFFAAJULV-BDAKNGLRSA-N
XLogP1.40
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-cyclopentyloxypyrimidin-2-amine
CID 80861271
4-cyclopropyloxypyrimidin-2-amine
CID 163297972
[4-(3-methoxycyclohexyl)oxypyrimidin-2-yl]hydrazine
CID 80925744
4-(3,5-dimethylcyclohexyl)oxypyrimidin-2-amine
CID 80878316
5-chloro-4-(3-methoxycyclohexyl)oxypyrimidin-2-amine
CID 80876419
(4-cyclobutyloxypyrimidin-2-yl)hydrazine
CID 80930849
[6-(3-methoxycyclohexyl)oxy-2-methylpyrimidin-4-yl]hydrazine
CID 80925248
2-[(3-methoxycyclohexyl)oxymethyl]pyridin-4-amine
CID 79259509
(4-cyclohexyloxypyrimidin-2-yl)hydrazine
CID 80909755
4-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]pyrimidin-2-amine
CID 80883520
4-(3-ethylcyclohexyl)oxy-N-methylpyrimidin-2-amine
CID 80876393
6-(3-methoxycyclohexyl)oxy-N,2-dimethylpyrimidin-4-amine
CID 80876574

Frequently Asked Questions

What is the IUPAC name of 4-[(1S,3R)-3-methoxycyclohexyl]oxypyrimidin-2-amine?
The IUPAC name of 4-[(1S,3R)-3-methoxycyclohexyl]oxypyrimidin-2-amine (CID 97052965) is 4-[(1S,3R)-3-methoxycyclohexyl]oxypyrimidin-2-amine.
What is the SMILES notation for 4-[(1S,3R)-3-methoxycyclohexyl]oxypyrimidin-2-amine?
The canonical SMILES for 4-[(1S,3R)-3-methoxycyclohexyl]oxypyrimidin-2-amine is CO[C@@H]1CCC[C@H](Oc2ccnc(N)n2)C1.
What is the InChIKey of 4-[(1S,3R)-3-methoxycyclohexyl]oxypyrimidin-2-amine?
The InChIKey is UCUBNYFFAAJULV-BDAKNGLRSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-15-8-3-2-4-9(7-8)16-10-5-6-13-11(12)14-10/h5-6,8-9H,2-4,7H2,1H3,(H2,12,13,14)/t8-,9+/m1/s1.
What are the key properties of 4-[(1S,3R)-3-methoxycyclohexyl]oxypyrimidin-2-amine?
4-[(1S,3R)-3-methoxycyclohexyl]oxypyrimidin-2-amine has a molecular weight of 223.28 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S,3R)-3-methoxycyclohexyl]oxypyrimidin-2-amine is sourced from PubChem (CID 97052965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).