N-[(3R)-3-methyl-1-prop-2-enylpiperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C15H21N5 — CID 151798997

IUPACN-[(3R)-3-methyl-1-prop-2-enylpiperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESC=CCN1CCC[C@@](C)(Nc2ncnc3[nH]ccc23)C1
InChIInChI=1S/C15H21N5/c1-3-8-20-9-4-6-15(2,10-20)19-14-12-5-7-16-13(12)17-11-18-14/h3,5,7,11H,1,4,6,8-10H2,2H3,(H2,16,17,18,19)/t15-/m1/s1
InChIKeyRYFBIEATPWNEGG-OAHLLOKOSA-N
MW271.37 g/mol
LogP2.41
Rot. Bonds4

About N-[(3R)-3-methyl-1-prop-2-enylpiperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine

N-[(3R)-3-methyl-1-prop-2-enylpiperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 151798997) has the molecular formula C15H21N5 and a molecular weight of 271.37 g/mol. Its IUPAC name is N-[(3R)-3-methyl-1-prop-2-enylpiperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(3R)-3-methyl-1-prop-2-enylpiperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID151798997
Molecular FormulaC15H21N5
Molecular Weight271.37 g/mol
Exact Mass271.18
IUPAC NameN-[(3R)-3-methyl-1-prop-2-enylpiperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESC=CCN1CCC[C@@](C)(Nc2ncnc3[nH]ccc23)C1
InChIInChI=1S/C15H21N5/c1-3-8-20-9-4-6-15(2,10-20)19-14-12-5-7-16-13(12)17-11-18-14/h3,5,7,11H,1,4,6,8-10H2,2H3,(H2,16,17,18,19)/t15-/m1/s1
InChIKeyRYFBIEATPWNEGG-OAHLLOKOSA-N
XLogP2.41
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-[(3R)-3-methyl-1-prop-2-enylpiperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine with MolForge

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Related Compounds

1-[(3R)-3-methyl-3-[(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)methyl]piperidin-1-yl]prop-2-en-1-one
CID 126763758
N-prop-2-enyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 76848839
4-(3-ethyl-3-methylpiperidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine
CID 139004861
1-methyl-9-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,9-diazaspiro[4.5]decane
CID 90265129
4-[4-methyl-4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine
CID 167866922
N-[3-methyl-3-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)cyclobutyl]propane-1-sulfonamide
CID 167752412
N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride
CID 175758651
N-[(2E,4Z)-5-methylhepta-2,4,6-trien-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 143080878
N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;3-piperidin-1-ylbut-3-enenitrile
CID 143542350
N-[1-(2-methylpropyl)piperidin-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 136522620
7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2,7-diazaspiro[4.5]decane
CID 122559840
1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-4-yl)-3-methylpyrrolidin-3-amine
CID 141399742

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-3-methyl-1-prop-2-enylpiperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[(3R)-3-methyl-1-prop-2-enylpiperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 151798997) is N-[(3R)-3-methyl-1-prop-2-enylpiperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(3R)-3-methyl-1-prop-2-enylpiperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[(3R)-3-methyl-1-prop-2-enylpiperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine is C=CCN1CCC[C@@](C)(Nc2ncnc3[nH]ccc23)C1.
What is the InChIKey of N-[(3R)-3-methyl-1-prop-2-enylpiperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is RYFBIEATPWNEGG-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H21N5/c1-3-8-20-9-4-6-15(2,10-20)19-14-12-5-7-16-13(12)17-11-18-14/h3,5,7,11H,1,4,6,8-10H2,2H3,(H2,16,17,18,19)/t15-/m1/s1.
What are the key properties of N-[(3R)-3-methyl-1-prop-2-enylpiperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
N-[(3R)-3-methyl-1-prop-2-enylpiperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 271.37 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-3-methyl-1-prop-2-enylpiperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 151798997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).