4-[2-[(methoxyamino)methyl]morpholin-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine

C12H18N6O2 — CID 143698242

IUPAC4-[2-[(methoxyamino)methyl]morpholin-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine
SMILESCONCC1CN(c2nc(N)nc3[nH]ccc23)CCO1
InChIInChI=1S/C12H18N6O2/c1-19-15-6-8-7-18(4-5-20-8)11-9-2-3-14-10(9)16-12(13)17-11/h2-3,8,15H,4-7H2,1H3,(H3,13,14,16,17)
InChIKeyYSALPTOUOLFPTM-UHFFFAOYSA-N
MW278.32 g/mol
LogP-0.10
Rot. Bonds4

About 4-[2-[(methoxyamino)methyl]morpholin-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine

4-[2-[(methoxyamino)methyl]morpholin-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine (PubChem CID 143698242) has the molecular formula C12H18N6O2 and a molecular weight of 278.32 g/mol. Its IUPAC name is 4-[2-[(methoxyamino)methyl]morpholin-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[2-[(methoxyamino)methyl]morpholin-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine
PubChem CID143698242
Molecular FormulaC12H18N6O2
Molecular Weight278.32 g/mol
Exact Mass278.15
IUPAC Name4-[2-[(methoxyamino)methyl]morpholin-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine
SMILESCONCC1CN(c2nc(N)nc3[nH]ccc23)CCO1
InChIInChI=1S/C12H18N6O2/c1-19-15-6-8-7-18(4-5-20-8)11-9-2-3-14-10(9)16-12(13)17-11/h2-3,8,15H,4-7H2,1H3,(H3,13,14,16,17)
InChIKeyYSALPTOUOLFPTM-UHFFFAOYSA-N
XLogP-0.10
TPSA101.32 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethane;[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)morpholin-2-yl]methanamine
CID 143698287
4-[4-(aminomethyl)piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 141251059
2-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)morpholin-2-yl]acetonitrile
CID 141383930
4-[3-(1H-pyrazol-5-yl)piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 171446103
4-[2-(2-methoxyethyl)morpholin-4-yl]-5,6,7,8-tetrahydroquinazolin-2-amine
CID 155955250
1-[4-(6-methoxy-3-nitro-2-pyridinyl)morpholin-2-yl]-N-methylmethanamine
CID 115323324
3-[(2R)-4-(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)morpholin-2-yl]phenol
CID 97069435
[4-(3-methylquinoxalin-2-yl)morpholin-2-yl]methanol
CID 79839156
2-(2-ethylmorpholin-4-yl)-6-methylpyridin-3-amine
CID 81132303
(2R)-2-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(1H-pyrrolo[2,3-b]pyridin-6-yl)morpholine
CID 95708943
[4-[2-(2-aminopyrimidin-5-yl)thieno[2,3-d]pyrimidin-4-yl]morpholin-2-yl]methanol
CID 59829582
[4-(2,6-diaminopyrimidin-4-yl)morpholin-2-yl]methanol
CID 81217236

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(methoxyamino)methyl]morpholin-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The IUPAC name of 4-[2-[(methoxyamino)methyl]morpholin-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine (CID 143698242) is 4-[2-[(methoxyamino)methyl]morpholin-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 4-[2-[(methoxyamino)methyl]morpholin-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 4-[2-[(methoxyamino)methyl]morpholin-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine is CONCC1CN(c2nc(N)nc3[nH]ccc23)CCO1.
What is the InChIKey of 4-[2-[(methoxyamino)methyl]morpholin-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The InChIKey is YSALPTOUOLFPTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O2/c1-19-15-6-8-7-18(4-5-20-8)11-9-2-3-14-10(9)16-12(13)17-11/h2-3,8,15H,4-7H2,1H3,(H3,13,14,16,17).
What are the key properties of 4-[2-[(methoxyamino)methyl]morpholin-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
4-[2-[(methoxyamino)methyl]morpholin-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine has a molecular weight of 278.32 g/mol, XLogP of -0.10, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(methoxyamino)methyl]morpholin-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 143698242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).