5-chloro-4-N-(1-methoxypropan-2-yl)pyrimidine-2,4-diamine

C8H13ClN4O — CID 80785811

IUPAC5-chloro-4-N-(1-methoxypropan-2-yl)pyrimidine-2,4-diamine
SMILESCOCC(C)Nc1nc(N)ncc1Cl
InChIInChI=1S/C8H13ClN4O/c1-5(4-14-2)12-7-6(9)3-11-8(10)13-7/h3,5H,4H2,1-2H3,(H3,10,11,12,13)
InChIKeyQQHPLUUXOMAEOY-UHFFFAOYSA-N
MW216.67 g/mol
LogP1.16
Rot. Bonds4

About 5-chloro-4-N-(1-methoxypropan-2-yl)pyrimidine-2,4-diamine

5-chloro-4-N-(1-methoxypropan-2-yl)pyrimidine-2,4-diamine (PubChem CID 80785811) has the molecular formula C8H13ClN4O and a molecular weight of 216.67 g/mol. Its IUPAC name is 5-chloro-4-N-(1-methoxypropan-2-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-chloro-4-N-(1-methoxypropan-2-yl)pyrimidine-2,4-diamine
PubChem CID80785811
Molecular FormulaC8H13ClN4O
Molecular Weight216.67 g/mol
Exact Mass216.08
IUPAC Name5-chloro-4-N-(1-methoxypropan-2-yl)pyrimidine-2,4-diamine
SMILESCOCC(C)Nc1nc(N)ncc1Cl
InChIInChI=1S/C8H13ClN4O/c1-5(4-14-2)12-7-6(9)3-11-8(10)13-7/h3,5H,4H2,1-2H3,(H3,10,11,12,13)
InChIKeyQQHPLUUXOMAEOY-UHFFFAOYSA-N
XLogP1.16
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.67
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-N-(1-methoxypropan-2-yl)pyrimidine-2,4-diamine?
The IUPAC name of 5-chloro-4-N-(1-methoxypropan-2-yl)pyrimidine-2,4-diamine (CID 80785811) is 5-chloro-4-N-(1-methoxypropan-2-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-chloro-4-N-(1-methoxypropan-2-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-chloro-4-N-(1-methoxypropan-2-yl)pyrimidine-2,4-diamine is COCC(C)Nc1nc(N)ncc1Cl.
What is the InChIKey of 5-chloro-4-N-(1-methoxypropan-2-yl)pyrimidine-2,4-diamine?
The InChIKey is QQHPLUUXOMAEOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClN4O/c1-5(4-14-2)12-7-6(9)3-11-8(10)13-7/h3,5H,4H2,1-2H3,(H3,10,11,12,13).
What are the key properties of 5-chloro-4-N-(1-methoxypropan-2-yl)pyrimidine-2,4-diamine?
5-chloro-4-N-(1-methoxypropan-2-yl)pyrimidine-2,4-diamine has a molecular weight of 216.67 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-N-(1-methoxypropan-2-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 80785811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).