3-[(6-amino-2-ethylpyrimidin-4-yl)amino]-3-methylpentan-1-ol

C12H22N4O — CID 106179255

IUPAC3-[(6-amino-2-ethylpyrimidin-4-yl)amino]-3-methylpentan-1-ol
SMILESCCc1nc(N)cc(NC(C)(CC)CCO)n1
InChIInChI=1S/C12H22N4O/c1-4-10-14-9(13)8-11(15-10)16-12(3,5-2)6-7-17/h8,17H,4-7H2,1-3H3,(H3,13,14,15,16)
InChIKeyDACFRCOWIVCUIF-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.58
Rot. Bonds6

About 3-[(6-amino-2-ethylpyrimidin-4-yl)amino]-3-methylpentan-1-ol

3-[(6-amino-2-ethylpyrimidin-4-yl)amino]-3-methylpentan-1-ol (PubChem CID 106179255) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 3-[(6-amino-2-ethylpyrimidin-4-yl)amino]-3-methylpentan-1-ol.

Molecular Properties

Compound Name3-[(6-amino-2-ethylpyrimidin-4-yl)amino]-3-methylpentan-1-ol
PubChem CID106179255
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name3-[(6-amino-2-ethylpyrimidin-4-yl)amino]-3-methylpentan-1-ol
SMILESCCc1nc(N)cc(NC(C)(CC)CCO)n1
InChIInChI=1S/C12H22N4O/c1-4-10-14-9(13)8-11(15-10)16-12(3,5-2)6-7-17/h8,17H,4-7H2,1-3H3,(H3,13,14,15,16)
InChIKeyDACFRCOWIVCUIF-UHFFFAOYSA-N
XLogP1.58
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-ethyl-6-hydrazinylpyrimidin-4-yl)amino]-2-methylbutan-1-ol
CID 80937626
2-(ethoxymethyl)-4-N-(3-methylpentan-3-yl)pyrimidine-4,6-diamine
CID 114174651
3-[(6-aminopyridazin-3-yl)amino]-3-methylpentan-1-ol
CID 106174456
5-[(6-amino-2-ethylpyrimidin-4-yl)amino]pentan-1-ol
CID 107302539
3-[(2-hydrazinyl-6-methylpyrimidin-4-yl)amino]-3-methylpentan-1-ol
CID 106179542
3-methyl-3-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]pentan-1-ol
CID 106179091
3-[[2-(ethoxymethyl)-6-(methylamino)pyrimidin-4-yl]amino]-3-methylpentan-1-ol
CID 106179231
3-[(6-amino-2-ethylpyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol
CID 104925423
3-[[2-(methoxymethyl)-6-(propylamino)pyrimidin-4-yl]amino]-3-methylpentan-1-ol
CID 106179082
4-[(1-hydroxy-3-methylpentan-3-yl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136849675
3-methyl-3-[[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]pentan-1-ol
CID 106179204
3-[[2-cyclopropyl-6-(propylamino)pyrimidin-4-yl]amino]-3-methylpentan-1-ol
CID 106179075

Frequently Asked Questions

What is the IUPAC name of 3-[(6-amino-2-ethylpyrimidin-4-yl)amino]-3-methylpentan-1-ol?
The IUPAC name of 3-[(6-amino-2-ethylpyrimidin-4-yl)amino]-3-methylpentan-1-ol (CID 106179255) is 3-[(6-amino-2-ethylpyrimidin-4-yl)amino]-3-methylpentan-1-ol.
What is the SMILES notation for 3-[(6-amino-2-ethylpyrimidin-4-yl)amino]-3-methylpentan-1-ol?
The canonical SMILES for 3-[(6-amino-2-ethylpyrimidin-4-yl)amino]-3-methylpentan-1-ol is CCc1nc(N)cc(NC(C)(CC)CCO)n1.
What is the InChIKey of 3-[(6-amino-2-ethylpyrimidin-4-yl)amino]-3-methylpentan-1-ol?
The InChIKey is DACFRCOWIVCUIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-4-10-14-9(13)8-11(15-10)16-12(3,5-2)6-7-17/h8,17H,4-7H2,1-3H3,(H3,13,14,15,16).
What are the key properties of 3-[(6-amino-2-ethylpyrimidin-4-yl)amino]-3-methylpentan-1-ol?
3-[(6-amino-2-ethylpyrimidin-4-yl)amino]-3-methylpentan-1-ol has a molecular weight of 238.33 g/mol, XLogP of 1.58, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-amino-2-ethylpyrimidin-4-yl)amino]-3-methylpentan-1-ol is sourced from PubChem (CID 106179255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).