(2R)-1-[(6-ethoxypyrimidin-4-yl)amino]-3,3-dimethylbutan-2-ol

C12H21N3O2 — CID 99606776

IUPAC(2R)-1-[(6-ethoxypyrimidin-4-yl)amino]-3,3-dimethylbutan-2-ol
SMILESCCOc1cc(NC[C@H](O)C(C)(C)C)ncn1
InChIInChI=1S/C12H21N3O2/c1-5-17-11-6-10(14-8-15-11)13-7-9(16)12(2,3)4/h6,8-9,16H,5,7H2,1-4H3,(H,13,14,15)/t9-/m0/s1
InChIKeyCYVNUWPNCNGZNN-VIFPVBQESA-N
MW239.32 g/mol
LogP1.69
Rot. Bonds5

About (2R)-1-[(6-ethoxypyrimidin-4-yl)amino]-3,3-dimethylbutan-2-ol

(2R)-1-[(6-ethoxypyrimidin-4-yl)amino]-3,3-dimethylbutan-2-ol (PubChem CID 99606776) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is (2R)-1-[(6-ethoxypyrimidin-4-yl)amino]-3,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name(2R)-1-[(6-ethoxypyrimidin-4-yl)amino]-3,3-dimethylbutan-2-ol
PubChem CID99606776
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name(2R)-1-[(6-ethoxypyrimidin-4-yl)amino]-3,3-dimethylbutan-2-ol
SMILESCCOc1cc(NC[C@H](O)C(C)(C)C)ncn1
InChIInChI=1S/C12H21N3O2/c1-5-17-11-6-10(14-8-15-11)13-7-9(16)12(2,3)4/h6,8-9,16H,5,7H2,1-4H3,(H,13,14,15)/t9-/m0/s1
InChIKeyCYVNUWPNCNGZNN-VIFPVBQESA-N
XLogP1.69
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(2-Methylpropoxy)pyrimidin-4-amine
CID 68058468
(1-{[(2-Amino-6-methoxypyrimidin-4-yl)amino]methyl}cyclobutyl)methanol
CID 500508
2-[2-[4-[2-(Dimethylamino)ethoxy]-6-(2-methoxyethylamino)pyrimidin-2-yl]oxyethyl]guanidine;hydrochloride
CID 44577031
2-[3-[4-[2-(Dimethylamino)ethoxy]-6-(2-methoxyethylamino)pyrimidin-2-yl]oxypropyl]guanidine;hydrochloride
CID 44577033
2-[3-[4-[2-(Dimethylamino)ethoxy]-6-(3-propan-2-yloxypropylamino)pyrimidin-2-yl]oxypropyl]guanidine;hydrochloride
CID 44577057
N-(2-methoxyethyl)-2,6-di(propan-2-yloxy)pyrimidin-4-amine
CID 44577415
6-ethoxy-4-N,4-N-dimethyl-2-N-(3-propan-2-yloxypropyl)pyrimidine-2,4-diamine
CID 44577416
2-(2-aminoethoxy)-6-[2-(dimethylamino)ethoxy]-N-(2-methoxyethyl)pyrimidin-4-amine
CID 44577491
2-(3-aminopropoxy)-6-[2-(dimethylamino)ethoxy]-N-(2-methoxyethyl)pyrimidin-4-amine
CID 44577492
2-(3-aminopropoxy)-6-[2-(dimethylamino)ethoxy]-N-(3-propan-2-yloxypropyl)pyrimidin-4-amine
CID 44577493
1-(2-Amino-6-isopropoxypyrimidin-4-YL)piperidin-3-OL
CID 50951061
1-Azepan-1-yl-3-[(6-methoxypyrimidin-4-yl)amino]propan-2-ol
CID 50980830

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(6-ethoxypyrimidin-4-yl)amino]-3,3-dimethylbutan-2-ol?
The IUPAC name of (2R)-1-[(6-ethoxypyrimidin-4-yl)amino]-3,3-dimethylbutan-2-ol (CID 99606776) is (2R)-1-[(6-ethoxypyrimidin-4-yl)amino]-3,3-dimethylbutan-2-ol.
What is the SMILES notation for (2R)-1-[(6-ethoxypyrimidin-4-yl)amino]-3,3-dimethylbutan-2-ol?
The canonical SMILES for (2R)-1-[(6-ethoxypyrimidin-4-yl)amino]-3,3-dimethylbutan-2-ol is CCOc1cc(NC[C@H](O)C(C)(C)C)ncn1.
What is the InChIKey of (2R)-1-[(6-ethoxypyrimidin-4-yl)amino]-3,3-dimethylbutan-2-ol?
The InChIKey is CYVNUWPNCNGZNN-VIFPVBQESA-N. The full InChI is InChI=1S/C12H21N3O2/c1-5-17-11-6-10(14-8-15-11)13-7-9(16)12(2,3)4/h6,8-9,16H,5,7H2,1-4H3,(H,13,14,15)/t9-/m0/s1.
What are the key properties of (2R)-1-[(6-ethoxypyrimidin-4-yl)amino]-3,3-dimethylbutan-2-ol?
(2R)-1-[(6-ethoxypyrimidin-4-yl)amino]-3,3-dimethylbutan-2-ol has a molecular weight of 239.32 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(6-ethoxypyrimidin-4-yl)amino]-3,3-dimethylbutan-2-ol is sourced from PubChem (CID 99606776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).