(2S)-2-[(6-amino-5-methylpyrimidin-4-yl)amino]-3-methylbutan-1-ol

C10H18N4O — CID 80847962

IUPAC(2S)-2-[(6-amino-5-methylpyrimidin-4-yl)amino]-3-methylbutan-1-ol
SMILESCc1c(N)ncnc1N[C@H](CO)C(C)C
InChIInChI=1S/C10H18N4O/c1-6(2)8(4-15)14-10-7(3)9(11)12-5-13-10/h5-6,8,15H,4H2,1-3H3,(H3,11,12,13,14)/t8-/m1/s1
InChIKeyWILNZMDXPHJHAO-MRVPVSSYSA-N
MW210.28 g/mol
LogP0.80
Rot. Bonds4

About (2S)-2-[(6-amino-5-methylpyrimidin-4-yl)amino]-3-methylbutan-1-ol

(2S)-2-[(6-amino-5-methylpyrimidin-4-yl)amino]-3-methylbutan-1-ol (PubChem CID 80847962) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is (2S)-2-[(6-amino-5-methylpyrimidin-4-yl)amino]-3-methylbutan-1-ol.

Molecular Properties

Compound Name(2S)-2-[(6-amino-5-methylpyrimidin-4-yl)amino]-3-methylbutan-1-ol
PubChem CID80847962
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name(2S)-2-[(6-amino-5-methylpyrimidin-4-yl)amino]-3-methylbutan-1-ol
SMILESCc1c(N)ncnc1N[C@H](CO)C(C)C
InChIInChI=1S/C10H18N4O/c1-6(2)8(4-15)14-10-7(3)9(11)12-5-13-10/h5-6,8,15H,4H2,1-3H3,(H3,11,12,13,14)/t8-/m1/s1
InChIKeyWILNZMDXPHJHAO-MRVPVSSYSA-N
XLogP0.80
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(6-amino-5-methylpyrimidin-4-yl)amino]propan-1-ol
CID 80779997
3-[(6-amino-5-methylpyrimidin-4-yl)amino]butan-1-ol
CID 83180449
5-methyl-4-N-(4-methylpentan-2-yl)pyrimidine-4,6-diamine
CID 80782943
(2S)-2-[(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]-3-methylbutan-1-ol
CID 80923492
3-methyl-2-[[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]amino]butan-1-ol
CID 80848028
3-methyl-2-[(3-methylpyrazin-2-yl)amino]butan-1-ol
CID 83063931
2-[(5-bromopyrimidin-4-yl)amino]-3-methylbutan-1-ol
CID 79248958
5-methyl-4-N-(1-phenylpropan-2-yl)pyrimidine-4,6-diamine
CID 80830817
4-[[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid
CID 95221860
3-methyl-2-[[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol
CID 80848033
(2S)-3-methyl-2-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol
CID 80848746
(2R)-2-[(2-amino-5-bromopyrimidin-4-yl)amino]-3-methylbutan-1-ol
CID 58796222

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(6-amino-5-methylpyrimidin-4-yl)amino]-3-methylbutan-1-ol?
The IUPAC name of (2S)-2-[(6-amino-5-methylpyrimidin-4-yl)amino]-3-methylbutan-1-ol (CID 80847962) is (2S)-2-[(6-amino-5-methylpyrimidin-4-yl)amino]-3-methylbutan-1-ol.
What is the SMILES notation for (2S)-2-[(6-amino-5-methylpyrimidin-4-yl)amino]-3-methylbutan-1-ol?
The canonical SMILES for (2S)-2-[(6-amino-5-methylpyrimidin-4-yl)amino]-3-methylbutan-1-ol is Cc1c(N)ncnc1N[C@H](CO)C(C)C.
What is the InChIKey of (2S)-2-[(6-amino-5-methylpyrimidin-4-yl)amino]-3-methylbutan-1-ol?
The InChIKey is WILNZMDXPHJHAO-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-6(2)8(4-15)14-10-7(3)9(11)12-5-13-10/h5-6,8,15H,4H2,1-3H3,(H3,11,12,13,14)/t8-/m1/s1.
What are the key properties of (2S)-2-[(6-amino-5-methylpyrimidin-4-yl)amino]-3-methylbutan-1-ol?
(2S)-2-[(6-amino-5-methylpyrimidin-4-yl)amino]-3-methylbutan-1-ol has a molecular weight of 210.28 g/mol, XLogP of 0.80, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(6-amino-5-methylpyrimidin-4-yl)amino]-3-methylbutan-1-ol is sourced from PubChem (CID 80847962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).