5-[(1R)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)pyrimidine-2,4-diamine

C16H19FN8O — CID 66623875

IUPAC5-[(1R)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)pyrimidine-2,4-diamine
SMILESCC(C)Oc1cc(Nc2nc(N)ncc2[C@@H](C)c2ncc(F)cn2)[nH]n1
InChIInChI=1S/C16H19FN8O/c1-8(2)26-13-4-12(24-25-13)22-15-11(7-21-16(18)23-15)9(3)14-19-5-10(17)6-20-14/h4-9H,1-3H3,(H4,18,21,22,23,24,25)/t9-/m1/s1
InChIKeyCUOHQHWWKMJGMC-SECBINFHSA-N
MW358.38 g/mol
LogP2.39
Rot. Bonds6

About 5-[(1R)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)pyrimidine-2,4-diamine

5-[(1R)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)pyrimidine-2,4-diamine (PubChem CID 66623875) has the molecular formula C16H19FN8O and a molecular weight of 358.38 g/mol. Its IUPAC name is 5-[(1R)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-[(1R)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)pyrimidine-2,4-diamine
PubChem CID66623875
Molecular FormulaC16H19FN8O
Molecular Weight358.38 g/mol
Exact Mass358.17
IUPAC Name5-[(1R)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)pyrimidine-2,4-diamine
SMILESCC(C)Oc1cc(Nc2nc(N)ncc2[C@@H](C)c2ncc(F)cn2)[nH]n1
InChIInChI=1S/C16H19FN8O/c1-8(2)26-13-4-12(24-25-13)22-15-11(7-21-16(18)23-15)9(3)14-19-5-10(17)6-20-14/h4-9H,1-3H3,(H4,18,21,22,23,24,25)/t9-/m1/s1
InChIKeyCUOHQHWWKMJGMC-SECBINFHSA-N
XLogP2.39
TPSA127.52 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.38
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[(1R)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)pyrimidine-2,4-diamine?
The IUPAC name of 5-[(1R)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)pyrimidine-2,4-diamine (CID 66623875) is 5-[(1R)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-[(1R)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-[(1R)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)pyrimidine-2,4-diamine is CC(C)Oc1cc(Nc2nc(N)ncc2[C@@H](C)c2ncc(F)cn2)[nH]n1.
What is the InChIKey of 5-[(1R)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)pyrimidine-2,4-diamine?
The InChIKey is CUOHQHWWKMJGMC-SECBINFHSA-N. The full InChI is InChI=1S/C16H19FN8O/c1-8(2)26-13-4-12(24-25-13)22-15-11(7-21-16(18)23-15)9(3)14-19-5-10(17)6-20-14/h4-9H,1-3H3,(H4,18,21,22,23,24,25)/t9-/m1/s1.
What are the key properties of 5-[(1R)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)pyrimidine-2,4-diamine?
5-[(1R)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)pyrimidine-2,4-diamine has a molecular weight of 358.38 g/mol, XLogP of 2.39, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 66623875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).