(2S)-2-[(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-3-methylbutan-1-ol

C12H22N6O2 — CID 80848988

IUPAC(2S)-2-[(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-3-methylbutan-1-ol
SMILESCC(C)[C@@H](CO)Nc1nc(N)nc(N2CCOCC2)n1
InChIInChI=1S/C12H22N6O2/c1-8(2)9(7-19)14-11-15-10(13)16-12(17-11)18-3-5-20-6-4-18/h8-9,19H,3-7H2,1-2H3,(H3,13,14,15,16,17)/t9-/m1/s1
InChIKeyBPUHNGSGUPDISX-SECBINFHSA-N
MW282.35 g/mol
LogP-0.28
Rot. Bonds5

About (2S)-2-[(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-3-methylbutan-1-ol

(2S)-2-[(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-3-methylbutan-1-ol (PubChem CID 80848988) has the molecular formula C12H22N6O2 and a molecular weight of 282.35 g/mol. Its IUPAC name is (2S)-2-[(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-3-methylbutan-1-ol.

Molecular Properties

Compound Name(2S)-2-[(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-3-methylbutan-1-ol
PubChem CID80848988
Molecular FormulaC12H22N6O2
Molecular Weight282.35 g/mol
Exact Mass282.18
IUPAC Name(2S)-2-[(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-3-methylbutan-1-ol
SMILESCC(C)[C@@H](CO)Nc1nc(N)nc(N2CCOCC2)n1
InChIInChI=1S/C12H22N6O2/c1-8(2)9(7-19)14-11-15-10(13)16-12(17-11)18-3-5-20-6-4-18/h8-9,19H,3-7H2,1-2H3,(H3,13,14,15,16,17)/t9-/m1/s1
InChIKeyBPUHNGSGUPDISX-SECBINFHSA-N
XLogP-0.28
TPSA109.42 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 5-0.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze (2S)-2-[(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-3-methylbutan-1-ol with MolForge

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Launch Full Analysis

Related Compounds

ethyl 2-[(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]propanoate
CID 80783472
2-N-(4-methoxybutan-2-yl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 80844752
2-N-heptan-2-yl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 80781816
2-[(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-N,N-dimethylpropanamide
CID 80781706
2-N-methyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 80770087
3-[(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]propan-1-ol
CID 80772383
2-N-[1-(furan-2-yl)ethyl]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 80774193
4-morpholin-4-yl-6-propan-2-yl-1,3,5-triazin-2-amine
CID 63868604
2-N-[2-[methyl(propan-2-yl)amino]ethyl]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 80803084
2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-3-methylbutan-1-ol
CID 80849056
2-[(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]acetamide
CID 80769608
3-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]butan-1-ol
CID 83180133

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-3-methylbutan-1-ol?
The IUPAC name of (2S)-2-[(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-3-methylbutan-1-ol (CID 80848988) is (2S)-2-[(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-3-methylbutan-1-ol.
What is the SMILES notation for (2S)-2-[(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-3-methylbutan-1-ol?
The canonical SMILES for (2S)-2-[(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-3-methylbutan-1-ol is CC(C)[C@@H](CO)Nc1nc(N)nc(N2CCOCC2)n1.
What is the InChIKey of (2S)-2-[(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-3-methylbutan-1-ol?
The InChIKey is BPUHNGSGUPDISX-SECBINFHSA-N. The full InChI is InChI=1S/C12H22N6O2/c1-8(2)9(7-19)14-11-15-10(13)16-12(17-11)18-3-5-20-6-4-18/h8-9,19H,3-7H2,1-2H3,(H3,13,14,15,16,17)/t9-/m1/s1.
What are the key properties of (2S)-2-[(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-3-methylbutan-1-ol?
(2S)-2-[(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-3-methylbutan-1-ol has a molecular weight of 282.35 g/mol, XLogP of -0.28, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-3-methylbutan-1-ol is sourced from PubChem (CID 80848988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).