4-(1-methoxypropan-2-yloxy)pyrimidin-5-amine

C8H13N3O2 — CID 79916110

IUPAC4-(1-methoxypropan-2-yloxy)pyrimidin-5-amine
SMILESCOCC(C)Oc1ncncc1N
InChIInChI=1S/C8H13N3O2/c1-6(4-12-2)13-8-7(9)3-10-5-11-8/h3,5-6H,4,9H2,1-2H3
InChIKeyHNKCHBTYKXXPLN-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.47
Rot. Bonds4

About 4-(1-methoxypropan-2-yloxy)pyrimidin-5-amine

4-(1-methoxypropan-2-yloxy)pyrimidin-5-amine (PubChem CID 79916110) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 4-(1-methoxypropan-2-yloxy)pyrimidin-5-amine.

Molecular Properties

Compound Name4-(1-methoxypropan-2-yloxy)pyrimidin-5-amine
PubChem CID79916110
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name4-(1-methoxypropan-2-yloxy)pyrimidin-5-amine
SMILESCOCC(C)Oc1ncncc1N
InChIInChI=1S/C8H13N3O2/c1-6(4-12-2)13-8-7(9)3-10-5-11-8/h3,5-6H,4,9H2,1-2H3
InChIKeyHNKCHBTYKXXPLN-UHFFFAOYSA-N
XLogP0.47
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1-methoxypropan-2-yloxy)pyrimidin-5-amine?
The IUPAC name of 4-(1-methoxypropan-2-yloxy)pyrimidin-5-amine (CID 79916110) is 4-(1-methoxypropan-2-yloxy)pyrimidin-5-amine.
What is the SMILES notation for 4-(1-methoxypropan-2-yloxy)pyrimidin-5-amine?
The canonical SMILES for 4-(1-methoxypropan-2-yloxy)pyrimidin-5-amine is COCC(C)Oc1ncncc1N.
What is the InChIKey of 4-(1-methoxypropan-2-yloxy)pyrimidin-5-amine?
The InChIKey is HNKCHBTYKXXPLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-6(4-12-2)13-8-7(9)3-10-5-11-8/h3,5-6H,4,9H2,1-2H3.
What are the key properties of 4-(1-methoxypropan-2-yloxy)pyrimidin-5-amine?
4-(1-methoxypropan-2-yloxy)pyrimidin-5-amine has a molecular weight of 183.21 g/mol, XLogP of 0.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methoxypropan-2-yloxy)pyrimidin-5-amine is sourced from PubChem (CID 79916110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).