N-methyl-N-[(2R)-2-morpholin-4-ylpropyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C14H21N5O — CID 95135617

IUPACN-methyl-N-[(2R)-2-morpholin-4-ylpropyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESC[C@H](CN(C)c1ncnc2[nH]ccc12)N1CCOCC1
InChIInChI=1S/C14H21N5O/c1-11(19-5-7-20-8-6-19)9-18(2)14-12-3-4-15-13(12)16-10-17-14/h3-4,10-11H,5-9H2,1-2H3,(H,15,16,17)/t11-/m1/s1
InChIKeyUAKNEWCXIOJCIE-LLVKDONJSA-N
MW275.36 g/mol
LogP1.11
Rot. Bonds4

About N-methyl-N-[(2R)-2-morpholin-4-ylpropyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine

N-methyl-N-[(2R)-2-morpholin-4-ylpropyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 95135617) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is N-methyl-N-[(2R)-2-morpholin-4-ylpropyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-N-[(2R)-2-morpholin-4-ylpropyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID95135617
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC NameN-methyl-N-[(2R)-2-morpholin-4-ylpropyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESC[C@H](CN(C)c1ncnc2[nH]ccc12)N1CCOCC1
InChIInChI=1S/C14H21N5O/c1-11(19-5-7-20-8-6-19)9-18(2)14-12-3-4-15-13(12)16-10-17-14/h3-4,10-11H,5-9H2,1-2H3,(H,15,16,17)/t11-/m1/s1
InChIKeyUAKNEWCXIOJCIE-LLVKDONJSA-N
XLogP1.11
TPSA57.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,1,3-trimethyl-N-[(2R)-2-morpholin-4-ylpropyl]pyrazolo[5,4-d]pyrimidin-4-amine
CID 95869116
4-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]butan-2-ol
CID 139004842
1-N,4-dimethyl-1-N-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pentane-1,3-diamine
CID 139013756
N-methyl-N-nonyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 150826942
N-methyl-N-(4-propan-2-ylcyclohexyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 68679684
2-(2-methylpropyl)-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]pyrrolidine-1-carboxylic acid
CID 134537035
N-methyl-N-(4-methylcyclohexyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 22484511
N-methyl-N-(2-phenoxyethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 50950589
N-[1-[(1S,5R)-6-bicyclo[3.1.0]hexanyl]ethyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 146995534
N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 154858031
2-cyano-N-ethyl-N-[(2R)-2-methyl-4-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]butyl]acetamide
CID 170367217
(2R)-N-(1H-indol-5-ylmethyl)-N-methyl-2-morpholin-4-ylpropan-1-amine
CID 95207377

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(2R)-2-morpholin-4-ylpropyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-methyl-N-[(2R)-2-morpholin-4-ylpropyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 95135617) is N-methyl-N-[(2R)-2-morpholin-4-ylpropyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-methyl-N-[(2R)-2-morpholin-4-ylpropyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-methyl-N-[(2R)-2-morpholin-4-ylpropyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine is C[C@H](CN(C)c1ncnc2[nH]ccc12)N1CCOCC1.
What is the InChIKey of N-methyl-N-[(2R)-2-morpholin-4-ylpropyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is UAKNEWCXIOJCIE-LLVKDONJSA-N. The full InChI is InChI=1S/C14H21N5O/c1-11(19-5-7-20-8-6-19)9-18(2)14-12-3-4-15-13(12)16-10-17-14/h3-4,10-11H,5-9H2,1-2H3,(H,15,16,17)/t11-/m1/s1.
What are the key properties of N-methyl-N-[(2R)-2-morpholin-4-ylpropyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
N-methyl-N-[(2R)-2-morpholin-4-ylpropyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 275.36 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(2R)-2-morpholin-4-ylpropyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 95135617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).