4-(2-hydroxyethylamino)-2-[(1-methylpyrazol-4-yl)amino]pyrimidine-5-carboxamide

C11H15N7O2 — CID 154628201

IUPAC4-(2-hydroxyethylamino)-2-[(1-methylpyrazol-4-yl)amino]pyrimidine-5-carboxamide
SMILESCn1cc(Nc2ncc(C(N)=O)c(NCCO)n2)cn1
InChIInChI=1S/C11H15N7O2/c1-18-6-7(4-15-18)16-11-14-5-8(9(12)20)10(17-11)13-2-3-19/h4-6,19H,2-3H2,1H3,(H2,12,20)(H2,13,14,16,17)
InChIKeyRXBSNWULQRTUKJ-UHFFFAOYSA-N
MW277.29 g/mol
LogP-0.54
Rot. Bonds6

About 4-(2-hydroxyethylamino)-2-[(1-methylpyrazol-4-yl)amino]pyrimidine-5-carboxamide

4-(2-hydroxyethylamino)-2-[(1-methylpyrazol-4-yl)amino]pyrimidine-5-carboxamide (PubChem CID 154628201) has the molecular formula C11H15N7O2 and a molecular weight of 277.29 g/mol. Its IUPAC name is 4-(2-hydroxyethylamino)-2-[(1-methylpyrazol-4-yl)amino]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-(2-hydroxyethylamino)-2-[(1-methylpyrazol-4-yl)amino]pyrimidine-5-carboxamide
PubChem CID154628201
Molecular FormulaC11H15N7O2
Molecular Weight277.29 g/mol
Exact Mass277.13
IUPAC Name4-(2-hydroxyethylamino)-2-[(1-methylpyrazol-4-yl)amino]pyrimidine-5-carboxamide
SMILESCn1cc(Nc2ncc(C(N)=O)c(NCCO)n2)cn1
InChIInChI=1S/C11H15N7O2/c1-18-6-7(4-15-18)16-11-14-5-8(9(12)20)10(17-11)13-2-3-19/h4-6,19H,2-3H2,1H3,(H2,12,20)(H2,13,14,16,17)
InChIKeyRXBSNWULQRTUKJ-UHFFFAOYSA-N
XLogP-0.54
TPSA130.98 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 5-0.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyethylamino)-2-[(1-methylpyrazol-4-yl)amino]pyrimidine-5-carboxamide?
The IUPAC name of 4-(2-hydroxyethylamino)-2-[(1-methylpyrazol-4-yl)amino]pyrimidine-5-carboxamide (CID 154628201) is 4-(2-hydroxyethylamino)-2-[(1-methylpyrazol-4-yl)amino]pyrimidine-5-carboxamide.
What is the SMILES notation for 4-(2-hydroxyethylamino)-2-[(1-methylpyrazol-4-yl)amino]pyrimidine-5-carboxamide?
The canonical SMILES for 4-(2-hydroxyethylamino)-2-[(1-methylpyrazol-4-yl)amino]pyrimidine-5-carboxamide is Cn1cc(Nc2ncc(C(N)=O)c(NCCO)n2)cn1.
What is the InChIKey of 4-(2-hydroxyethylamino)-2-[(1-methylpyrazol-4-yl)amino]pyrimidine-5-carboxamide?
The InChIKey is RXBSNWULQRTUKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N7O2/c1-18-6-7(4-15-18)16-11-14-5-8(9(12)20)10(17-11)13-2-3-19/h4-6,19H,2-3H2,1H3,(H2,12,20)(H2,13,14,16,17).
What are the key properties of 4-(2-hydroxyethylamino)-2-[(1-methylpyrazol-4-yl)amino]pyrimidine-5-carboxamide?
4-(2-hydroxyethylamino)-2-[(1-methylpyrazol-4-yl)amino]pyrimidine-5-carboxamide has a molecular weight of 277.29 g/mol, XLogP of -0.54, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyethylamino)-2-[(1-methylpyrazol-4-yl)amino]pyrimidine-5-carboxamide is sourced from PubChem (CID 154628201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).