6-cyclopropyl-2-(1-ethoxycycloheptyl)pyrimidin-4-amine

C16H25N3O — CID 116776273

IUPAC6-cyclopropyl-2-(1-ethoxycycloheptyl)pyrimidin-4-amine
SMILESCCOC1(c2nc(N)cc(C3CC3)n2)CCCCCC1
InChIInChI=1S/C16H25N3O/c1-2-20-16(9-5-3-4-6-10-16)15-18-13(12-7-8-12)11-14(17)19-15/h11-12H,2-10H2,1H3,(H2,17,18,19)
InChIKeyHDNKSGXXJGHREQ-UHFFFAOYSA-N
MW275.40 g/mol
LogP3.52
Rot. Bonds4

About 6-cyclopropyl-2-(1-ethoxycycloheptyl)pyrimidin-4-amine

6-cyclopropyl-2-(1-ethoxycycloheptyl)pyrimidin-4-amine (PubChem CID 116776273) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 6-cyclopropyl-2-(1-ethoxycycloheptyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-cyclopropyl-2-(1-ethoxycycloheptyl)pyrimidin-4-amine
PubChem CID116776273
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name6-cyclopropyl-2-(1-ethoxycycloheptyl)pyrimidin-4-amine
SMILESCCOC1(c2nc(N)cc(C3CC3)n2)CCCCCC1
InChIInChI=1S/C16H25N3O/c1-2-20-16(9-5-3-4-6-10-16)15-18-13(12-7-8-12)11-14(17)19-15/h11-12H,2-10H2,1H3,(H2,17,18,19)
InChIKeyHDNKSGXXJGHREQ-UHFFFAOYSA-N
XLogP3.52
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-cyclopropyl-6-(1-ethoxycyclopentyl)-1,3,5-triazin-2-amine
CID 116781962
6-cyclopropyl-2-(1-ethoxycycloheptyl)-5-iodopyrimidin-4-amine
CID 116777204
4-cyclopropyl-2-(1-ethoxycyclohexyl)-1H-pyrimidin-6-one
CID 136963776
2-(1-ethoxy-4-methylcyclohexyl)-6-propylpyrimidin-4-amine
CID 116775599
2-(1-ethoxycyclopentyl)pyrimidin-4-amine
CID 116775700
4-chloro-6-cyclopropyl-2-(1-methoxycyclobutyl)pyrimidine
CID 116706276
4-chloro-6-cyclopropyl-2-(1-methoxycyclopentyl)pyrimidine
CID 104609956
4-chloro-2-(1-ethoxycyclohexyl)-6-methylpyrimidine
CID 116745682
[2-(1-ethoxycycloheptyl)-6-propylpyrimidin-4-yl]hydrazine
CID 116777542
4-chloro-2-(1-ethoxycyclohexyl)-6-propylpyrimidine
CID 116745703
2-(1-ethoxycyclopentyl)-6-ethylthieno[2,3-d]pyrimidin-4-amine
CID 116775464
4-(1-ethoxycycloheptyl)-6-propan-2-yl-1,3,5-triazin-2-amine
CID 116781933

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-2-(1-ethoxycycloheptyl)pyrimidin-4-amine?
The IUPAC name of 6-cyclopropyl-2-(1-ethoxycycloheptyl)pyrimidin-4-amine (CID 116776273) is 6-cyclopropyl-2-(1-ethoxycycloheptyl)pyrimidin-4-amine.
What is the SMILES notation for 6-cyclopropyl-2-(1-ethoxycycloheptyl)pyrimidin-4-amine?
The canonical SMILES for 6-cyclopropyl-2-(1-ethoxycycloheptyl)pyrimidin-4-amine is CCOC1(c2nc(N)cc(C3CC3)n2)CCCCCC1.
What is the InChIKey of 6-cyclopropyl-2-(1-ethoxycycloheptyl)pyrimidin-4-amine?
The InChIKey is HDNKSGXXJGHREQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-2-20-16(9-5-3-4-6-10-16)15-18-13(12-7-8-12)11-14(17)19-15/h11-12H,2-10H2,1H3,(H2,17,18,19).
What are the key properties of 6-cyclopropyl-2-(1-ethoxycycloheptyl)pyrimidin-4-amine?
6-cyclopropyl-2-(1-ethoxycycloheptyl)pyrimidin-4-amine has a molecular weight of 275.40 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-2-(1-ethoxycycloheptyl)pyrimidin-4-amine is sourced from PubChem (CID 116776273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).