(2R)-2-(furan-2-yl)-1-[[4-[[(3S)-oxan-3-yl]amino]pyrimidin-2-yl]amino]propan-2-ol

C16H22N4O3 — CID 129332796

IUPAC(2R)-2-(furan-2-yl)-1-[[4-[[(3S)-oxan-3-yl]amino]pyrimidin-2-yl]amino]propan-2-ol
SMILESC[C@@](O)(CNc1nccc(N[C@H]2CCCOC2)n1)c1ccco1
InChIInChI=1S/C16H22N4O3/c1-16(21,13-5-3-9-23-13)11-18-15-17-7-6-14(20-15)19-12-4-2-8-22-10-12/h3,5-7,9,12,21H,2,4,8,10-11H2,1H3,(H2,17,18,19,20)/t12-,16+/m0/s1
InChIKeyDUQDOWHSMODLSH-BLLLJJGKSA-N
MW318.38 g/mol
LogP1.98
Rot. Bonds6

About (2R)-2-(furan-2-yl)-1-[[4-[[(3S)-oxan-3-yl]amino]pyrimidin-2-yl]amino]propan-2-ol

(2R)-2-(furan-2-yl)-1-[[4-[[(3S)-oxan-3-yl]amino]pyrimidin-2-yl]amino]propan-2-ol (PubChem CID 129332796) has the molecular formula C16H22N4O3 and a molecular weight of 318.38 g/mol. Its IUPAC name is (2R)-2-(furan-2-yl)-1-[[4-[[(3S)-oxan-3-yl]amino]pyrimidin-2-yl]amino]propan-2-ol.

Molecular Properties

Compound Name(2R)-2-(furan-2-yl)-1-[[4-[[(3S)-oxan-3-yl]amino]pyrimidin-2-yl]amino]propan-2-ol
PubChem CID129332796
Molecular FormulaC16H22N4O3
Molecular Weight318.38 g/mol
Exact Mass318.17
IUPAC Name(2R)-2-(furan-2-yl)-1-[[4-[[(3S)-oxan-3-yl]amino]pyrimidin-2-yl]amino]propan-2-ol
SMILESC[C@@](O)(CNc1nccc(N[C@H]2CCCOC2)n1)c1ccco1
InChIInChI=1S/C16H22N4O3/c1-16(21,13-5-3-9-23-13)11-18-15-17-7-6-14(20-15)19-12-4-2-8-22-10-12/h3,5-7,9,12,21H,2,4,8,10-11H2,1H3,(H2,17,18,19,20)/t12-,16+/m0/s1
InChIKeyDUQDOWHSMODLSH-BLLLJJGKSA-N
XLogP1.98
TPSA92.44 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze (2R)-2-(furan-2-yl)-1-[[4-[[(3S)-oxan-3-yl]amino]pyrimidin-2-yl]amino]propan-2-ol with MolForge

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Related Compounds

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
4-N-[(3R)-oxan-3-yl]-2-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine
CID 129338410
2-N-(furan-3-ylmethyl)-4-N-(oxan-3-yl)pyrimidine-2,4-diamine
CID 128993039
2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-N-[(3R)-oxan-3-yl]pyrimidine-2,4-diamine
CID 129341639
2-N-[(2-methoxy-4-pyridinyl)methyl]-4-N-[(3R)-oxan-3-yl]pyrimidine-2,4-diamine
CID 129333487
2-N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]-4-N-[(3S)-oxan-3-yl]pyrimidine-2,4-diamine
CID 129343882
2-N-(2-imidazol-1-ylethyl)-4-N-[(3R)-oxan-3-yl]pyrimidine-2,4-diamine
CID 129341030
4-methyl-2-[[4-(oxan-3-ylamino)pyrimidin-2-yl]amino]pentanoic acid
CID 122062510
2-N-[(3R)-1,1-dioxothiolan-3-yl]-4-N-[(3R)-oxan-3-yl]pyrimidine-2,4-diamine
CID 129333489
2-N-[(3S)-1,1-dioxothiolan-3-yl]-4-N-[(3S)-oxan-3-yl]pyrimidine-2,4-diamine
CID 129333491
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 (2R)-2-(furan-2-yl)-1-[[4-[[(3S)-oxan-3-yl]amino]pyrimidin-2-yl]amino]propan-2-ol?
The IUPAC name of (2R)-2-(furan-2-yl)-1-[[4-[[(3S)-oxan-3-yl]amino]pyrimidin-2-yl]amino]propan-2-ol (CID 129332796) is (2R)-2-(furan-2-yl)-1-[[4-[[(3S)-oxan-3-yl]amino]pyrimidin-2-yl]amino]propan-2-ol.
What is the SMILES notation for (2R)-2-(furan-2-yl)-1-[[4-[[(3S)-oxan-3-yl]amino]pyrimidin-2-yl]amino]propan-2-ol?
The canonical SMILES for (2R)-2-(furan-2-yl)-1-[[4-[[(3S)-oxan-3-yl]amino]pyrimidin-2-yl]amino]propan-2-ol is C[C@@](O)(CNc1nccc(N[C@H]2CCCOC2)n1)c1ccco1.
What is the InChIKey of (2R)-2-(furan-2-yl)-1-[[4-[[(3S)-oxan-3-yl]amino]pyrimidin-2-yl]amino]propan-2-ol?
The InChIKey is DUQDOWHSMODLSH-BLLLJJGKSA-N. The full InChI is InChI=1S/C16H22N4O3/c1-16(21,13-5-3-9-23-13)11-18-15-17-7-6-14(20-15)19-12-4-2-8-22-10-12/h3,5-7,9,12,21H,2,4,8,10-11H2,1H3,(H2,17,18,19,20)/t12-,16+/m0/s1.
What are the key properties of (2R)-2-(furan-2-yl)-1-[[4-[[(3S)-oxan-3-yl]amino]pyrimidin-2-yl]amino]propan-2-ol?
(2R)-2-(furan-2-yl)-1-[[4-[[(3S)-oxan-3-yl]amino]pyrimidin-2-yl]amino]propan-2-ol has a molecular weight of 318.38 g/mol, XLogP of 1.98, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(furan-2-yl)-1-[[4-[[(3S)-oxan-3-yl]amino]pyrimidin-2-yl]amino]propan-2-ol is sourced from PubChem (CID 129332796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).