2-N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]-4-N-[(3S)-oxan-3-yl]pyrimidine-2,4-diamine

C16H24N6O — CID 129343882

IUPAC2-N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]-4-N-[(3S)-oxan-3-yl]pyrimidine-2,4-diamine
SMILESC[C@H](CNc1nccc(N[C@H]2CCCOC2)n1)Cn1cccn1
InChIInChI=1S/C16H24N6O/c1-13(11-22-8-3-6-19-22)10-18-16-17-7-5-15(21-16)20-14-4-2-9-23-12-14/h3,5-8,13-14H,2,4,9-12H2,1H3,(H2,17,18,20,21)/t13-,14+/m1/s1
InChIKeyXVURXKLMKAZSGR-KGLIPLIRSA-N
MW316.41 g/mol
LogP2.01
Rot. Bonds7

About 2-N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]-4-N-[(3S)-oxan-3-yl]pyrimidine-2,4-diamine

2-N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]-4-N-[(3S)-oxan-3-yl]pyrimidine-2,4-diamine (PubChem CID 129343882) has the molecular formula C16H24N6O and a molecular weight of 316.41 g/mol. Its IUPAC name is 2-N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]-4-N-[(3S)-oxan-3-yl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]-4-N-[(3S)-oxan-3-yl]pyrimidine-2,4-diamine
PubChem CID129343882
Molecular FormulaC16H24N6O
Molecular Weight316.41 g/mol
Exact Mass316.20
IUPAC Name2-N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]-4-N-[(3S)-oxan-3-yl]pyrimidine-2,4-diamine
SMILESC[C@H](CNc1nccc(N[C@H]2CCCOC2)n1)Cn1cccn1
InChIInChI=1S/C16H24N6O/c1-13(11-22-8-3-6-19-22)10-18-16-17-7-5-15(21-16)20-14-4-2-9-23-12-14/h3,5-8,13-14H,2,4,9-12H2,1H3,(H2,17,18,20,21)/t13-,14+/m1/s1
InChIKeyXVURXKLMKAZSGR-KGLIPLIRSA-N
XLogP2.01
TPSA76.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]-4-N-[(3S)-oxan-3-yl]pyrimidine-2,4-diamine with MolForge

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Related Compounds

2-N-(furan-3-ylmethyl)-4-N-(oxan-3-yl)pyrimidine-2,4-diamine
CID 128993039
2-N-(2-imidazol-1-ylethyl)-4-N-[(3R)-oxan-3-yl]pyrimidine-2,4-diamine
CID 129341030
4-N-[(3R)-oxan-3-yl]-2-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine
CID 129338410
2-[[4-(oxan-3-ylamino)pyrimidin-2-yl]amino]acetic acid
CID 122047247
[2-[[[4-(oxan-3-ylamino)pyrimidin-2-yl]amino]methyl]phenyl]methanol
CID 128996848
2-N-[(2-methoxy-4-pyridinyl)methyl]-4-N-[(3R)-oxan-3-yl]pyrimidine-2,4-diamine
CID 129333487
2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-N-[(3R)-oxan-3-yl]pyrimidine-2,4-diamine
CID 129341639
(2R)-2-(furan-2-yl)-1-[[4-[[(3S)-oxan-3-yl]amino]pyrimidin-2-yl]amino]propan-2-ol
CID 129332796
4-methyl-2-[[4-(oxan-3-ylamino)pyrimidin-2-yl]amino]pentanoic acid
CID 122062510
3-cyclopropyl-N-(2-methyl-3-pyrazol-1-ylpropyl)-1,2,4-oxadiazol-5-amine
CID 75399656
N-(oxan-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine
CID 115372562
4-N-(oxan-3-yl)-2-N-(1,3,5-trimethylpyrazol-4-yl)pyrimidine-2,4-diamine
CID 128996036

Frequently Asked Questions

What is the IUPAC name of 2-N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]-4-N-[(3S)-oxan-3-yl]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]-4-N-[(3S)-oxan-3-yl]pyrimidine-2,4-diamine (CID 129343882) is 2-N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]-4-N-[(3S)-oxan-3-yl]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]-4-N-[(3S)-oxan-3-yl]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]-4-N-[(3S)-oxan-3-yl]pyrimidine-2,4-diamine is C[C@H](CNc1nccc(N[C@H]2CCCOC2)n1)Cn1cccn1.
What is the InChIKey of 2-N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]-4-N-[(3S)-oxan-3-yl]pyrimidine-2,4-diamine?
The InChIKey is XVURXKLMKAZSGR-KGLIPLIRSA-N. The full InChI is InChI=1S/C16H24N6O/c1-13(11-22-8-3-6-19-22)10-18-16-17-7-5-15(21-16)20-14-4-2-9-23-12-14/h3,5-8,13-14H,2,4,9-12H2,1H3,(H2,17,18,20,21)/t13-,14+/m1/s1.
What are the key properties of 2-N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]-4-N-[(3S)-oxan-3-yl]pyrimidine-2,4-diamine?
2-N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]-4-N-[(3S)-oxan-3-yl]pyrimidine-2,4-diamine has a molecular weight of 316.41 g/mol, XLogP of 2.01, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]-4-N-[(3S)-oxan-3-yl]pyrimidine-2,4-diamine is sourced from PubChem (CID 129343882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).