6-N-[(2-methylpyrazol-3-yl)methyl]-4-N-[(2S,3S)-2-propan-2-yloxan-3-yl]pyrimidine-4,6-diamine

C17H26N6O — CID 129474157

IUPAC6-N-[(2-methylpyrazol-3-yl)methyl]-4-N-[(2S,3S)-2-propan-2-yloxan-3-yl]pyrimidine-4,6-diamine
SMILESCC(C)[C@@H]1OCCC[C@@H]1Nc1cc(NCc2ccnn2C)ncn1
InChIInChI=1S/C17H26N6O/c1-12(2)17-14(5-4-8-24-17)22-16-9-15(19-11-20-16)18-10-13-6-7-21-23(13)3/h6-7,9,11-12,14,17H,4-5,8,10H2,1-3H3,(H2,18,19,20,22)/t14-,17-/m0/s1
InChIKeyCNHYYHVFNYUCMH-YOEHRIQHSA-N
MW330.44 g/mol
LogP2.44
Rot. Bonds6

About 6-N-[(2-methylpyrazol-3-yl)methyl]-4-N-[(2S,3S)-2-propan-2-yloxan-3-yl]pyrimidine-4,6-diamine

6-N-[(2-methylpyrazol-3-yl)methyl]-4-N-[(2S,3S)-2-propan-2-yloxan-3-yl]pyrimidine-4,6-diamine (PubChem CID 129474157) has the molecular formula C17H26N6O and a molecular weight of 330.44 g/mol. Its IUPAC name is 6-N-[(2-methylpyrazol-3-yl)methyl]-4-N-[(2S,3S)-2-propan-2-yloxan-3-yl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-[(2-methylpyrazol-3-yl)methyl]-4-N-[(2S,3S)-2-propan-2-yloxan-3-yl]pyrimidine-4,6-diamine
PubChem CID129474157
Molecular FormulaC17H26N6O
Molecular Weight330.44 g/mol
Exact Mass330.22
IUPAC Name6-N-[(2-methylpyrazol-3-yl)methyl]-4-N-[(2S,3S)-2-propan-2-yloxan-3-yl]pyrimidine-4,6-diamine
SMILESCC(C)[C@@H]1OCCC[C@@H]1Nc1cc(NCc2ccnn2C)ncn1
InChIInChI=1S/C17H26N6O/c1-12(2)17-14(5-4-8-24-17)22-16-9-15(19-11-20-16)18-10-13-6-7-21-23(13)3/h6-7,9,11-12,14,17H,4-5,8,10H2,1-3H3,(H2,18,19,20,22)/t14-,17-/m0/s1
InChIKeyCNHYYHVFNYUCMH-YOEHRIQHSA-N
XLogP2.44
TPSA76.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.44
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-N-[(2-methylpyrazol-3-yl)methyl]-4-N-[(2S,3S)-2-propan-2-yloxan-3-yl]pyrimidine-4,6-diamine?
The IUPAC name of 6-N-[(2-methylpyrazol-3-yl)methyl]-4-N-[(2S,3S)-2-propan-2-yloxan-3-yl]pyrimidine-4,6-diamine (CID 129474157) is 6-N-[(2-methylpyrazol-3-yl)methyl]-4-N-[(2S,3S)-2-propan-2-yloxan-3-yl]pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-[(2-methylpyrazol-3-yl)methyl]-4-N-[(2S,3S)-2-propan-2-yloxan-3-yl]pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-[(2-methylpyrazol-3-yl)methyl]-4-N-[(2S,3S)-2-propan-2-yloxan-3-yl]pyrimidine-4,6-diamine is CC(C)[C@@H]1OCCC[C@@H]1Nc1cc(NCc2ccnn2C)ncn1.
What is the InChIKey of 6-N-[(2-methylpyrazol-3-yl)methyl]-4-N-[(2S,3S)-2-propan-2-yloxan-3-yl]pyrimidine-4,6-diamine?
The InChIKey is CNHYYHVFNYUCMH-YOEHRIQHSA-N. The full InChI is InChI=1S/C17H26N6O/c1-12(2)17-14(5-4-8-24-17)22-16-9-15(19-11-20-16)18-10-13-6-7-21-23(13)3/h6-7,9,11-12,14,17H,4-5,8,10H2,1-3H3,(H2,18,19,20,22)/t14-,17-/m0/s1.
What are the key properties of 6-N-[(2-methylpyrazol-3-yl)methyl]-4-N-[(2S,3S)-2-propan-2-yloxan-3-yl]pyrimidine-4,6-diamine?
6-N-[(2-methylpyrazol-3-yl)methyl]-4-N-[(2S,3S)-2-propan-2-yloxan-3-yl]pyrimidine-4,6-diamine has a molecular weight of 330.44 g/mol, XLogP of 2.44, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[(2-methylpyrazol-3-yl)methyl]-4-N-[(2S,3S)-2-propan-2-yloxan-3-yl]pyrimidine-4,6-diamine is sourced from PubChem (CID 129474157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).