1-[5-amino-2-(tert-butylamino)pyrido[4,3-d]pyrimidin-8-yl]-4-methylpiperidin-3-ol

C17H26N6O — CID 167021825

IUPAC1-[5-amino-2-(tert-butylamino)pyrido[4,3-d]pyrimidin-8-yl]-4-methylpiperidin-3-ol
SMILESCC1CCN(c2cnc(N)c3cnc(NC(C)(C)C)nc23)CC1O
InChIInChI=1S/C17H26N6O/c1-10-5-6-23(9-13(10)24)12-8-19-15(18)11-7-20-16(21-14(11)12)22-17(2,3)4/h7-8,10,13,24H,5-6,9H2,1-4H3,(H2,18,19)(H,20,21,22)
InChIKeyHDMIADHRYXEYSQ-UHFFFAOYSA-N
MW330.44 g/mol
LogP2.02
Rot. Bonds2

About 1-[5-amino-2-(tert-butylamino)pyrido[4,3-d]pyrimidin-8-yl]-4-methylpiperidin-3-ol

1-[5-amino-2-(tert-butylamino)pyrido[4,3-d]pyrimidin-8-yl]-4-methylpiperidin-3-ol (PubChem CID 167021825) has the molecular formula C17H26N6O and a molecular weight of 330.44 g/mol. Its IUPAC name is 1-[5-amino-2-(tert-butylamino)pyrido[4,3-d]pyrimidin-8-yl]-4-methylpiperidin-3-ol.

Molecular Properties

Compound Name1-[5-amino-2-(tert-butylamino)pyrido[4,3-d]pyrimidin-8-yl]-4-methylpiperidin-3-ol
PubChem CID167021825
Molecular FormulaC17H26N6O
Molecular Weight330.44 g/mol
Exact Mass330.22
IUPAC Name1-[5-amino-2-(tert-butylamino)pyrido[4,3-d]pyrimidin-8-yl]-4-methylpiperidin-3-ol
SMILESCC1CCN(c2cnc(N)c3cnc(NC(C)(C)C)nc23)CC1O
InChIInChI=1S/C17H26N6O/c1-10-5-6-23(9-13(10)24)12-8-19-15(18)11-7-20-16(21-14(11)12)22-17(2,3)4/h7-8,10,13,24H,5-6,9H2,1-4H3,(H2,18,19)(H,20,21,22)
InChIKeyHDMIADHRYXEYSQ-UHFFFAOYSA-N
XLogP2.02
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.44
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 1-[5-amino-2-(tert-butylamino)pyrido[4,3-d]pyrimidin-8-yl]-4-methylpiperidin-3-ol with MolForge

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Related Compounds

(3S,4R)-1-[5-amino-2-[(4-methoxycyclohexyl)amino]pyrido[4,3-d]pyrimidin-8-yl]-4-methylpiperidin-3-ol
CID 165053558
1-[2-(ethylamino)-5-methylpyrimidin-4-yl]-4-methylpiperidin-3-ol
CID 102971036
1-[5,6-diamino-2-(tert-butylamino)pyrimidin-4-yl]pyrrolidin-3-ol
CID 123475270
1-(3-amino-4-pyridinyl)-4-methylpiperidin-3-ol
CID 102955442
1-[2-[(tert-butylamino)methyl]phenyl]-4-methylpiperidin-3-ol
CID 102960800
4-[5-amino-2-(tert-butylamino)pyrido[4,3-d]pyrimidin-8-yl]benzenesulfonamide
CID 165020058
4-[5-amino-2-(tert-butylamino)pyrido[4,3-d]pyrimidin-8-yl]-1-methylpyridin-2-one
CID 167021763
4-methyl-1-(2-methylsulfonylphenyl)piperidin-3-ol
CID 103896232
4-[(5-amino-8-chloropyrido[4,3-d]pyrimidin-2-yl)amino]cyclohexan-1-ol
CID 167021737
5-amino-3-(3-hydroxy-4-methylpiperidin-1-yl)-2-methylbenzenesulfonamide
CID 102955514
1-(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)-4-methylpiperidin-3-ol
CID 102971936
3-[[5-amino-2-(tert-butylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 167147029

Frequently Asked Questions

What is the IUPAC name of 1-[5-amino-2-(tert-butylamino)pyrido[4,3-d]pyrimidin-8-yl]-4-methylpiperidin-3-ol?
The IUPAC name of 1-[5-amino-2-(tert-butylamino)pyrido[4,3-d]pyrimidin-8-yl]-4-methylpiperidin-3-ol (CID 167021825) is 1-[5-amino-2-(tert-butylamino)pyrido[4,3-d]pyrimidin-8-yl]-4-methylpiperidin-3-ol.
What is the SMILES notation for 1-[5-amino-2-(tert-butylamino)pyrido[4,3-d]pyrimidin-8-yl]-4-methylpiperidin-3-ol?
The canonical SMILES for 1-[5-amino-2-(tert-butylamino)pyrido[4,3-d]pyrimidin-8-yl]-4-methylpiperidin-3-ol is CC1CCN(c2cnc(N)c3cnc(NC(C)(C)C)nc23)CC1O.
What is the InChIKey of 1-[5-amino-2-(tert-butylamino)pyrido[4,3-d]pyrimidin-8-yl]-4-methylpiperidin-3-ol?
The InChIKey is HDMIADHRYXEYSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6O/c1-10-5-6-23(9-13(10)24)12-8-19-15(18)11-7-20-16(21-14(11)12)22-17(2,3)4/h7-8,10,13,24H,5-6,9H2,1-4H3,(H2,18,19)(H,20,21,22).
What are the key properties of 1-[5-amino-2-(tert-butylamino)pyrido[4,3-d]pyrimidin-8-yl]-4-methylpiperidin-3-ol?
1-[5-amino-2-(tert-butylamino)pyrido[4,3-d]pyrimidin-8-yl]-4-methylpiperidin-3-ol has a molecular weight of 330.44 g/mol, XLogP of 2.02, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-amino-2-(tert-butylamino)pyrido[4,3-d]pyrimidin-8-yl]-4-methylpiperidin-3-ol is sourced from PubChem (CID 167021825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).