5-ethyl-4-N-[1-(1-methylpyrazol-4-yl)ethyl]pyrimidine-2,4-diamine

C12H18N6 — CID 72885337

IUPAC5-ethyl-4-N-[1-(1-methylpyrazol-4-yl)ethyl]pyrimidine-2,4-diamine
SMILESCCc1cnc(N)nc1NC(C)c1cnn(C)c1
InChIInChI=1S/C12H18N6/c1-4-9-5-14-12(13)17-11(9)16-8(2)10-6-15-18(3)7-10/h5-8H,4H2,1-3H3,(H3,13,14,16,17)
InChIKeyCSPZHCSGCUDYKQ-UHFFFAOYSA-N
MW246.32 g/mol
LogP1.53
Rot. Bonds4

About 5-ethyl-4-N-[1-(1-methylpyrazol-4-yl)ethyl]pyrimidine-2,4-diamine

5-ethyl-4-N-[1-(1-methylpyrazol-4-yl)ethyl]pyrimidine-2,4-diamine (PubChem CID 72885337) has the molecular formula C12H18N6 and a molecular weight of 246.32 g/mol. Its IUPAC name is 5-ethyl-4-N-[1-(1-methylpyrazol-4-yl)ethyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-ethyl-4-N-[1-(1-methylpyrazol-4-yl)ethyl]pyrimidine-2,4-diamine
PubChem CID72885337
Molecular FormulaC12H18N6
Molecular Weight246.32 g/mol
Exact Mass246.16
IUPAC Name5-ethyl-4-N-[1-(1-methylpyrazol-4-yl)ethyl]pyrimidine-2,4-diamine
SMILESCCc1cnc(N)nc1NC(C)c1cnn(C)c1
InChIInChI=1S/C12H18N6/c1-4-9-5-14-12(13)17-11(9)16-8(2)10-6-15-18(3)7-10/h5-8H,4H2,1-3H3,(H3,13,14,16,17)
InChIKeyCSPZHCSGCUDYKQ-UHFFFAOYSA-N
XLogP1.53
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.32
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-N-[1-(1-methylpyrazol-4-yl)ethyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-ethyl-4-N-[1-(1-methylpyrazol-4-yl)ethyl]pyrimidine-2,4-diamine (CID 72885337) is 5-ethyl-4-N-[1-(1-methylpyrazol-4-yl)ethyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-ethyl-4-N-[1-(1-methylpyrazol-4-yl)ethyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-ethyl-4-N-[1-(1-methylpyrazol-4-yl)ethyl]pyrimidine-2,4-diamine is CCc1cnc(N)nc1NC(C)c1cnn(C)c1.
What is the InChIKey of 5-ethyl-4-N-[1-(1-methylpyrazol-4-yl)ethyl]pyrimidine-2,4-diamine?
The InChIKey is CSPZHCSGCUDYKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6/c1-4-9-5-14-12(13)17-11(9)16-8(2)10-6-15-18(3)7-10/h5-8H,4H2,1-3H3,(H3,13,14,16,17).
What are the key properties of 5-ethyl-4-N-[1-(1-methylpyrazol-4-yl)ethyl]pyrimidine-2,4-diamine?
5-ethyl-4-N-[1-(1-methylpyrazol-4-yl)ethyl]pyrimidine-2,4-diamine has a molecular weight of 246.32 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-N-[1-(1-methylpyrazol-4-yl)ethyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 72885337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).