N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-5H-pyrrolo[3,2-d]pyrimidin-4-amine

C16H18N6 — CID 138385058

IUPACN-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-5H-pyrrolo[3,2-d]pyrimidin-4-amine
SMILESCc1nc(CCNc2ncnc3cc[nH]c23)nc2c1CCC2
InChIInChI=1S/C16H18N6/c1-10-11-3-2-4-12(11)22-14(21-10)6-8-18-16-15-13(5-7-17-15)19-9-20-16/h5,7,9,17H,2-4,6,8H2,1H3,(H,18,19,20)
InChIKeySVRALIDZFXDVPV-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.20
Rot. Bonds4

About N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-5H-pyrrolo[3,2-d]pyrimidin-4-amine

N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-5H-pyrrolo[3,2-d]pyrimidin-4-amine (PubChem CID 138385058) has the molecular formula C16H18N6 and a molecular weight of 294.36 g/mol. Its IUPAC name is N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-5H-pyrrolo[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-5H-pyrrolo[3,2-d]pyrimidin-4-amine
PubChem CID138385058
Molecular FormulaC16H18N6
Molecular Weight294.36 g/mol
Exact Mass294.16
IUPAC NameN-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-5H-pyrrolo[3,2-d]pyrimidin-4-amine
SMILESCc1nc(CCNc2ncnc3cc[nH]c23)nc2c1CCC2
InChIInChI=1S/C16H18N6/c1-10-11-3-2-4-12(11)22-14(21-10)6-8-18-16-15-13(5-7-17-15)19-9-20-16/h5,7,9,17H,2-4,6,8H2,1H3,(H,18,19,20)
InChIKeySVRALIDZFXDVPV-UHFFFAOYSA-N
XLogP2.20
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]-5H-pyrrolo[3,2-d]pyrimidin-4-amine
CID 138382185
4-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethylamino]-2-phenyl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
CID 171907719
6-methyl-4-N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]pyrimidine-2,4-diamine
CID 72936445
[2-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethylamino]-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 134705518
2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethanamine;dihydrochloride
CID 75530624
(1R)-2-methyl-N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-3-phenylcycloprop-2-ene-1-carboxamide
CID 124755594
6-methyl-N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-amine
CID 176505586
N-methyl-3-(4-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-yl)propan-1-amine
CID 105493609
6-(3-aminocyclobutyl)-4-N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]pyrimidine-2,4-diamine
CID 91785904
2-ethyl-N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide
CID 156584807
ethane;4-methyl-5H-pyrrolo[3,2-d]pyrimidine
CID 143935779
N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 131902037

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-5H-pyrrolo[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-5H-pyrrolo[3,2-d]pyrimidin-4-amine (CID 138385058) is N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-5H-pyrrolo[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-5H-pyrrolo[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-5H-pyrrolo[3,2-d]pyrimidin-4-amine is Cc1nc(CCNc2ncnc3cc[nH]c23)nc2c1CCC2.
What is the InChIKey of N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-5H-pyrrolo[3,2-d]pyrimidin-4-amine?
The InChIKey is SVRALIDZFXDVPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6/c1-10-11-3-2-4-12(11)22-14(21-10)6-8-18-16-15-13(5-7-17-15)19-9-20-16/h5,7,9,17H,2-4,6,8H2,1H3,(H,18,19,20).
What are the key properties of N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-5H-pyrrolo[3,2-d]pyrimidin-4-amine?
N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-5H-pyrrolo[3,2-d]pyrimidin-4-amine has a molecular weight of 294.36 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-5H-pyrrolo[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 138385058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).