4-(1-hydroxypropan-2-ylamino)-2-methylpyrimidine-5-carbonitrile

C9H12N4O — CID 130541073

IUPAC4-(1-hydroxypropan-2-ylamino)-2-methylpyrimidine-5-carbonitrile
SMILESCc1ncc(C#N)c(NC(C)CO)n1
InChIInChI=1S/C9H12N4O/c1-6(5-14)12-9-8(3-10)4-11-7(2)13-9/h4,6,14H,5H2,1-2H3,(H,11,12,13)
InChIKeyAQPFBCGNMFUJST-UHFFFAOYSA-N
MW192.22 g/mol
LogP0.45
Rot. Bonds3

About 4-(1-hydroxypropan-2-ylamino)-2-methylpyrimidine-5-carbonitrile

4-(1-hydroxypropan-2-ylamino)-2-methylpyrimidine-5-carbonitrile (PubChem CID 130541073) has the molecular formula C9H12N4O and a molecular weight of 192.22 g/mol. Its IUPAC name is 4-(1-hydroxypropan-2-ylamino)-2-methylpyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-(1-hydroxypropan-2-ylamino)-2-methylpyrimidine-5-carbonitrile
PubChem CID130541073
Molecular FormulaC9H12N4O
Molecular Weight192.22 g/mol
Exact Mass192.10
IUPAC Name4-(1-hydroxypropan-2-ylamino)-2-methylpyrimidine-5-carbonitrile
SMILESCc1ncc(C#N)c(NC(C)CO)n1
InChIInChI=1S/C9H12N4O/c1-6(5-14)12-9-8(3-10)4-11-7(2)13-9/h4,6,14H,5H2,1-2H3,(H,11,12,13)
InChIKeyAQPFBCGNMFUJST-UHFFFAOYSA-N
XLogP0.45
TPSA81.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1-hydroxypropan-2-ylamino)-2-methylpyrimidine-5-carbonitrile?
The IUPAC name of 4-(1-hydroxypropan-2-ylamino)-2-methylpyrimidine-5-carbonitrile (CID 130541073) is 4-(1-hydroxypropan-2-ylamino)-2-methylpyrimidine-5-carbonitrile.
What is the SMILES notation for 4-(1-hydroxypropan-2-ylamino)-2-methylpyrimidine-5-carbonitrile?
The canonical SMILES for 4-(1-hydroxypropan-2-ylamino)-2-methylpyrimidine-5-carbonitrile is Cc1ncc(C#N)c(NC(C)CO)n1.
What is the InChIKey of 4-(1-hydroxypropan-2-ylamino)-2-methylpyrimidine-5-carbonitrile?
The InChIKey is AQPFBCGNMFUJST-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O/c1-6(5-14)12-9-8(3-10)4-11-7(2)13-9/h4,6,14H,5H2,1-2H3,(H,11,12,13).
What are the key properties of 4-(1-hydroxypropan-2-ylamino)-2-methylpyrimidine-5-carbonitrile?
4-(1-hydroxypropan-2-ylamino)-2-methylpyrimidine-5-carbonitrile has a molecular weight of 192.22 g/mol, XLogP of 0.45, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-hydroxypropan-2-ylamino)-2-methylpyrimidine-5-carbonitrile is sourced from PubChem (CID 130541073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).