(2S)-2-[[6-(2-aminoethyl)pyrimidin-4-yl]amino]-3-methylbutan-1-ol

C11H20N4O — CID 56708033

IUPAC(2S)-2-[[6-(2-aminoethyl)pyrimidin-4-yl]amino]-3-methylbutan-1-ol
SMILESCC(C)[C@@H](CO)Nc1cc(CCN)ncn1
InChIInChI=1S/C11H20N4O/c1-8(2)10(6-16)15-11-5-9(3-4-12)13-7-14-11/h5,7-8,10,16H,3-4,6,12H2,1-2H3,(H,13,14,15)/t10-/m1/s1
InChIKeyDKYTWBRGVWMSRS-SNVBAGLBSA-N
MW224.31 g/mol
LogP0.41
Rot. Bonds6

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

(2S)-2-[[6-(2-aminoethyl)pyrimidin-4-yl]amino]-3-methylbutan-1-ol (PubChem CID 56708033) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is (2S)-2-[[6-(2-aminoethyl)pyrimidin-4-yl]amino]-3-methylbutan-1-ol.

Molecular Properties

Compound Name(2S)-2-[[6-(2-aminoethyl)pyrimidin-4-yl]amino]-3-methylbutan-1-ol
PubChem CID56708033
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name(2S)-2-[[6-(2-aminoethyl)pyrimidin-4-yl]amino]-3-methylbutan-1-ol
SMILESCC(C)[C@@H](CO)Nc1cc(CCN)ncn1
InChIInChI=1S/C11H20N4O/c1-8(2)10(6-16)15-11-5-9(3-4-12)13-7-14-11/h5,7-8,10,16H,3-4,6,12H2,1-2H3,(H,13,14,15)/t10-/m1/s1
InChIKeyDKYTWBRGVWMSRS-SNVBAGLBSA-N
XLogP0.41
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2S)-2-[[6-(2-aminoethyl)pyrimidin-4-yl]amino]-3-methylbutan-1-ol with MolForge

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Related Compounds

(2S)-2-[[6-(2-aminoethyl)pyrimidin-4-yl]amino]-3-methylbutanamide
CID 56709397
2-[[4-(aminomethyl)-2-pyridinyl]amino]-3-methylbutan-1-ol
CID 79254832
2-[(5-aminopyrazin-2-yl)amino]-3-methylbutan-1-ol
CID 80653720
2-[(4-amino-2-pyridinyl)amino]-3-methylbutan-1-ol
CID 79248276
4-methyl-3-N-(6-methylpyrimidin-4-yl)pentane-1,3-diamine
CID 106357708
2-[[6-(aminomethyl)-2-pyridinyl]amino]-3-methylbutan-1-ol
CID 79254007
2-phenyl-2-[(6-propylpyrimidin-4-yl)amino]ethanol
CID 55157881
2-[(6-hydrazinylpyrimidin-4-yl)amino]propan-1-ol
CID 80906308
N-(3,3-dimethylbutan-2-yl)-6-ethylpyrimidin-4-amine
CID 115685847
(2S)-2-[(6-amino-5-methylpyrimidin-4-yl)amino]-3-methylbutan-1-ol
CID 80847962
3-[(6-ethylpyrimidin-4-yl)amino]butan-1-ol
CID 78997265
(2S)-2-[[2-amino-6-(methylamino)pyrimidin-4-yl]amino]-3-methylbutan-1-ol
CID 80848437

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[6-(2-aminoethyl)pyrimidin-4-yl]amino]-3-methylbutan-1-ol?
The IUPAC name of (2S)-2-[[6-(2-aminoethyl)pyrimidin-4-yl]amino]-3-methylbutan-1-ol (CID 56708033) is (2S)-2-[[6-(2-aminoethyl)pyrimidin-4-yl]amino]-3-methylbutan-1-ol.
What is the SMILES notation for (2S)-2-[[6-(2-aminoethyl)pyrimidin-4-yl]amino]-3-methylbutan-1-ol?
The canonical SMILES for (2S)-2-[[6-(2-aminoethyl)pyrimidin-4-yl]amino]-3-methylbutan-1-ol is CC(C)[C@@H](CO)Nc1cc(CCN)ncn1.
What is the InChIKey of (2S)-2-[[6-(2-aminoethyl)pyrimidin-4-yl]amino]-3-methylbutan-1-ol?
The InChIKey is DKYTWBRGVWMSRS-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H20N4O/c1-8(2)10(6-16)15-11-5-9(3-4-12)13-7-14-11/h5,7-8,10,16H,3-4,6,12H2,1-2H3,(H,13,14,15)/t10-/m1/s1.
What are the key properties of (2S)-2-[[6-(2-aminoethyl)pyrimidin-4-yl]amino]-3-methylbutan-1-ol?
(2S)-2-[[6-(2-aminoethyl)pyrimidin-4-yl]amino]-3-methylbutan-1-ol has a molecular weight of 224.31 g/mol, XLogP of 0.41, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[6-(2-aminoethyl)pyrimidin-4-yl]amino]-3-methylbutan-1-ol is sourced from PubChem (CID 56708033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).