6-(3-methoxypropyl)pyrimidin-4-amine

C8H13N3O — CID 158731917

IUPAC6-(3-methoxypropyl)pyrimidin-4-amine
SMILESCOCCCc1cc(N)ncn1
InChIInChI=1S/C8H13N3O/c1-12-4-2-3-7-5-8(9)11-6-10-7/h5-6H,2-4H2,1H3,(H2,9,10,11)
InChIKeyILEWJINBGUSBAR-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.64
Rot. Bonds4

About 6-(3-methoxypropyl)pyrimidin-4-amine

6-(3-methoxypropyl)pyrimidin-4-amine (PubChem CID 158731917) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 6-(3-methoxypropyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(3-methoxypropyl)pyrimidin-4-amine
PubChem CID158731917
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name6-(3-methoxypropyl)pyrimidin-4-amine
SMILESCOCCCc1cc(N)ncn1
InChIInChI=1S/C8H13N3O/c1-12-4-2-3-7-5-8(9)11-6-10-7/h5-6H,2-4H2,1H3,(H2,9,10,11)
InChIKeyILEWJINBGUSBAR-UHFFFAOYSA-N
XLogP0.64
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-[2-(4-chlorophenoxy)ethyl]pyrimidin-4-amine
CID 72928210
(2S)-2-amino-4-(6-aminopyrimidin-4-yl)butanoic acid
CID 100963390
5-(3-methoxypropyl)-1H-pyrazol-3-amine
CID 45121235
2-(3-methoxypropyl)-1,3-thiazol-4-amine
CID 83108358
6-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrimidin-4-amine
CID 21059983
4-N-[2-(2-methoxyethyl)phenyl]pyrimidine-4,6-diamine
CID 102908724
4-N-(2-methoxyethyl)-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 82953136
4-N-(4-methoxybutan-2-yl)pyrimidine-4,6-diamine
CID 78929961
5-chloro-2-(3-methoxypropyl)-4-propan-2-ylpyridine
CID 59509254
5-(3-methoxypropoxymethyl)pyrazin-2-amine
CID 103057859
4-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 65095158
4,6-di(pentadecyl)pyrimidine
CID 91242686

Frequently Asked Questions

What is the IUPAC name of 6-(3-methoxypropyl)pyrimidin-4-amine?
The IUPAC name of 6-(3-methoxypropyl)pyrimidin-4-amine (CID 158731917) is 6-(3-methoxypropyl)pyrimidin-4-amine.
What is the SMILES notation for 6-(3-methoxypropyl)pyrimidin-4-amine?
The canonical SMILES for 6-(3-methoxypropyl)pyrimidin-4-amine is COCCCc1cc(N)ncn1.
What is the InChIKey of 6-(3-methoxypropyl)pyrimidin-4-amine?
The InChIKey is ILEWJINBGUSBAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-12-4-2-3-7-5-8(9)11-6-10-7/h5-6H,2-4H2,1H3,(H2,9,10,11).
What are the key properties of 6-(3-methoxypropyl)pyrimidin-4-amine?
6-(3-methoxypropyl)pyrimidin-4-amine has a molecular weight of 167.21 g/mol, XLogP of 0.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methoxypropyl)pyrimidin-4-amine is sourced from PubChem (CID 158731917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).