1-[(5-amino-6-methoxypyrimidin-4-yl)amino]-3-(dimethylamino)-2-methylpropan-2-ol

C11H21N5O2 — CID 106141779

IUPAC1-[(5-amino-6-methoxypyrimidin-4-yl)amino]-3-(dimethylamino)-2-methylpropan-2-ol
SMILESCOc1ncnc(NCC(C)(O)CN(C)C)c1N
InChIInChI=1S/C11H21N5O2/c1-11(17,6-16(2)3)5-13-9-8(12)10(18-4)15-7-14-9/h7,17H,5-6,12H2,1-4H3,(H,13,14,15)
InChIKeyHFMBKWCPEALFIP-UHFFFAOYSA-N
MW255.32 g/mol
LogP-0.21
Rot. Bonds6

About 1-[(5-amino-6-methoxypyrimidin-4-yl)amino]-3-(dimethylamino)-2-methylpropan-2-ol

1-[(5-amino-6-methoxypyrimidin-4-yl)amino]-3-(dimethylamino)-2-methylpropan-2-ol (PubChem CID 106141779) has the molecular formula C11H21N5O2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 1-[(5-amino-6-methoxypyrimidin-4-yl)amino]-3-(dimethylamino)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[(5-amino-6-methoxypyrimidin-4-yl)amino]-3-(dimethylamino)-2-methylpropan-2-ol
PubChem CID106141779
Molecular FormulaC11H21N5O2
Molecular Weight255.32 g/mol
Exact Mass255.17
IUPAC Name1-[(5-amino-6-methoxypyrimidin-4-yl)amino]-3-(dimethylamino)-2-methylpropan-2-ol
SMILESCOc1ncnc(NCC(C)(O)CN(C)C)c1N
InChIInChI=1S/C11H21N5O2/c1-11(17,6-16(2)3)5-13-9-8(12)10(18-4)15-7-14-9/h7,17H,5-6,12H2,1-4H3,(H,13,14,15)
InChIKeyHFMBKWCPEALFIP-UHFFFAOYSA-N
XLogP-0.21
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 5-0.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 1-[(5-amino-6-methoxypyrimidin-4-yl)amino]-3-(dimethylamino)-2-methylpropan-2-ol with MolForge

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Related Compounds

1-[(6-amino-5-propylpyrimidin-4-yl)amino]-3-(dimethylamino)-2-methylpropan-2-ol
CID 106150169
5-[(5-amino-6-methoxypyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol
CID 106141264
1-[(3-amino-6-methoxy-2-pyridinyl)amino]-3-(dimethylamino)-2-methylpropan-2-ol
CID 106141783
6-methoxy-4-N-(2-methylprop-2-enyl)pyrimidine-4,5-diamine
CID 114615244
6-methoxy-4-N-(3-methylbut-2-enyl)pyrimidine-4,5-diamine
CID 106182340
3-amino-2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]pyridine-4-carbonitrile
CID 106141918
1-[(5-amino-6-propan-2-yloxypyrimidin-4-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 106244013
1-[(5-aminopyrimidin-2-yl)amino]-3-(dimethylamino)-2-methylpropan-2-ol
CID 106141561
4-N-(2,2-dimethylbutyl)-6-ethoxypyrimidine-4,5-diamine
CID 103460119
1-[(3-amino-6-methyl-2-pyridinyl)amino]-3-(dimethylamino)-2-methylpropan-2-ol
CID 106141588
1-(dimethylamino)-3-[(2-methoxy-4-pyridinyl)amino]-2-methylpropan-2-ol
CID 106145654
1-[(6-chloro-5-methoxypyrimidin-4-yl)amino]-2-methylpentan-2-ol
CID 106293481

Frequently Asked Questions

What is the IUPAC name of 1-[(5-amino-6-methoxypyrimidin-4-yl)amino]-3-(dimethylamino)-2-methylpropan-2-ol?
The IUPAC name of 1-[(5-amino-6-methoxypyrimidin-4-yl)amino]-3-(dimethylamino)-2-methylpropan-2-ol (CID 106141779) is 1-[(5-amino-6-methoxypyrimidin-4-yl)amino]-3-(dimethylamino)-2-methylpropan-2-ol.
What is the SMILES notation for 1-[(5-amino-6-methoxypyrimidin-4-yl)amino]-3-(dimethylamino)-2-methylpropan-2-ol?
The canonical SMILES for 1-[(5-amino-6-methoxypyrimidin-4-yl)amino]-3-(dimethylamino)-2-methylpropan-2-ol is COc1ncnc(NCC(C)(O)CN(C)C)c1N.
What is the InChIKey of 1-[(5-amino-6-methoxypyrimidin-4-yl)amino]-3-(dimethylamino)-2-methylpropan-2-ol?
The InChIKey is HFMBKWCPEALFIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O2/c1-11(17,6-16(2)3)5-13-9-8(12)10(18-4)15-7-14-9/h7,17H,5-6,12H2,1-4H3,(H,13,14,15).
What are the key properties of 1-[(5-amino-6-methoxypyrimidin-4-yl)amino]-3-(dimethylamino)-2-methylpropan-2-ol?
1-[(5-amino-6-methoxypyrimidin-4-yl)amino]-3-(dimethylamino)-2-methylpropan-2-ol has a molecular weight of 255.32 g/mol, XLogP of -0.21, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-amino-6-methoxypyrimidin-4-yl)amino]-3-(dimethylamino)-2-methylpropan-2-ol is sourced from PubChem (CID 106141779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).