N-(2-methoxy-2-methylcyclopropyl)-1,4,5,6-tetrahydropyrimidin-2-amine

C9H17N3O — CID 164658995

IUPACN-(2-methoxy-2-methylcyclopropyl)-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESCOC1(C)CC1NC1=NCCCN1
InChIInChI=1S/C9H17N3O/c1-9(13-2)6-7(9)12-8-10-4-3-5-11-8/h7H,3-6H2,1-2H3,(H2,10,11,12)
InChIKeyRDNREBBDCFFZDF-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.10
Rot. Bonds2

About N-(2-methoxy-2-methylcyclopropyl)-1,4,5,6-tetrahydropyrimidin-2-amine

N-(2-methoxy-2-methylcyclopropyl)-1,4,5,6-tetrahydropyrimidin-2-amine (PubChem CID 164658995) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is N-(2-methoxy-2-methylcyclopropyl)-1,4,5,6-tetrahydropyrimidin-2-amine.

Molecular Properties

Compound NameN-(2-methoxy-2-methylcyclopropyl)-1,4,5,6-tetrahydropyrimidin-2-amine
PubChem CID164658995
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC NameN-(2-methoxy-2-methylcyclopropyl)-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESCOC1(C)CC1NC1=NCCCN1
InChIInChI=1S/C9H17N3O/c1-9(13-2)6-7(9)12-8-10-4-3-5-11-8/h7H,3-6H2,1-2H3,(H2,10,11,12)
InChIKeyRDNREBBDCFFZDF-UHFFFAOYSA-N
XLogP0.10
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-2-methylcyclopropyl)-1,4,5,6-tetrahydropyrimidin-2-amine?
The IUPAC name of N-(2-methoxy-2-methylcyclopropyl)-1,4,5,6-tetrahydropyrimidin-2-amine (CID 164658995) is N-(2-methoxy-2-methylcyclopropyl)-1,4,5,6-tetrahydropyrimidin-2-amine.
What is the SMILES notation for N-(2-methoxy-2-methylcyclopropyl)-1,4,5,6-tetrahydropyrimidin-2-amine?
The canonical SMILES for N-(2-methoxy-2-methylcyclopropyl)-1,4,5,6-tetrahydropyrimidin-2-amine is COC1(C)CC1NC1=NCCCN1.
What is the InChIKey of N-(2-methoxy-2-methylcyclopropyl)-1,4,5,6-tetrahydropyrimidin-2-amine?
The InChIKey is RDNREBBDCFFZDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-9(13-2)6-7(9)12-8-10-4-3-5-11-8/h7H,3-6H2,1-2H3,(H2,10,11,12).
What are the key properties of N-(2-methoxy-2-methylcyclopropyl)-1,4,5,6-tetrahydropyrimidin-2-amine?
N-(2-methoxy-2-methylcyclopropyl)-1,4,5,6-tetrahydropyrimidin-2-amine has a molecular weight of 183.25 g/mol, XLogP of 0.10, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-2-methylcyclopropyl)-1,4,5,6-tetrahydropyrimidin-2-amine is sourced from PubChem (CID 164658995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).