6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[1-(5-fluoro-2-pyridinyl)ethyl]pyrimidine-4,6-diamine

C17H18FN7 — CID 137351448

IUPAC6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[1-(5-fluoro-2-pyridinyl)ethyl]pyrimidine-4,6-diamine
SMILESCC(Nc1cc(Nc2cc(C3CC3)[nH]n2)ncn1)c1ccc(F)cn1
InChIInChI=1S/C17H18FN7/c1-10(13-5-4-12(18)8-19-13)22-15-7-16(21-9-20-15)23-17-6-14(24-25-17)11-2-3-11/h4-11H,2-3H2,1H3,(H3,20,21,22,23,24,25)
InChIKeyYBTWZDWDCJEMTO-UHFFFAOYSA-N
MW339.38 g/mol
LogP3.53
Rot. Bonds6

About 6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[1-(5-fluoro-2-pyridinyl)ethyl]pyrimidine-4,6-diamine

6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[1-(5-fluoro-2-pyridinyl)ethyl]pyrimidine-4,6-diamine (PubChem CID 137351448) has the molecular formula C17H18FN7 and a molecular weight of 339.38 g/mol. Its IUPAC name is 6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[1-(5-fluoro-2-pyridinyl)ethyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[1-(5-fluoro-2-pyridinyl)ethyl]pyrimidine-4,6-diamine
PubChem CID137351448
Molecular FormulaC17H18FN7
Molecular Weight339.38 g/mol
Exact Mass339.16
IUPAC Name6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[1-(5-fluoro-2-pyridinyl)ethyl]pyrimidine-4,6-diamine
SMILESCC(Nc1cc(Nc2cc(C3CC3)[nH]n2)ncn1)c1ccc(F)cn1
InChIInChI=1S/C17H18FN7/c1-10(13-5-4-12(18)8-19-13)22-15-7-16(21-9-20-15)23-17-6-14(24-25-17)11-2-3-11/h4-11H,2-3H2,1H3,(H3,20,21,22,23,24,25)
InChIKeyYBTWZDWDCJEMTO-UHFFFAOYSA-N
XLogP3.53
TPSA91.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.38
LogP ≤ 53.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[1-(5-fluoro-2-pyridinyl)ethyl]pyrimidine-4,6-diamine?
The IUPAC name of 6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[1-(5-fluoro-2-pyridinyl)ethyl]pyrimidine-4,6-diamine (CID 137351448) is 6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[1-(5-fluoro-2-pyridinyl)ethyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[1-(5-fluoro-2-pyridinyl)ethyl]pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[1-(5-fluoro-2-pyridinyl)ethyl]pyrimidine-4,6-diamine is CC(Nc1cc(Nc2cc(C3CC3)[nH]n2)ncn1)c1ccc(F)cn1.
What is the InChIKey of 6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[1-(5-fluoro-2-pyridinyl)ethyl]pyrimidine-4,6-diamine?
The InChIKey is YBTWZDWDCJEMTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN7/c1-10(13-5-4-12(18)8-19-13)22-15-7-16(21-9-20-15)23-17-6-14(24-25-17)11-2-3-11/h4-11H,2-3H2,1H3,(H3,20,21,22,23,24,25).
What are the key properties of 6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[1-(5-fluoro-2-pyridinyl)ethyl]pyrimidine-4,6-diamine?
6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[1-(5-fluoro-2-pyridinyl)ethyl]pyrimidine-4,6-diamine has a molecular weight of 339.38 g/mol, XLogP of 3.53, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[1-(5-fluoro-2-pyridinyl)ethyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 137351448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).