2-(cyclopropylmethyl)-9-[(4-methyl-2-pyridinyl)methyl]purin-6-amine

C16H18N6 — CID 178028928

IUPAC2-(cyclopropylmethyl)-9-[(4-methyl-2-pyridinyl)methyl]purin-6-amine
SMILESCc1ccnc(Cn2cnc3c(N)nc(CC4CC4)nc32)c1
InChIInChI=1S/C16H18N6/c1-10-4-5-18-12(6-10)8-22-9-19-14-15(17)20-13(21-16(14)22)7-11-2-3-11/h4-6,9,11H,2-3,7-8H2,1H3,(H2,17,20,21)
InChIKeyKEHODVBBHZFUDA-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.11
Rot. Bonds4

About 2-(cyclopropylmethyl)-9-[(4-methyl-2-pyridinyl)methyl]purin-6-amine

2-(cyclopropylmethyl)-9-[(4-methyl-2-pyridinyl)methyl]purin-6-amine (PubChem CID 178028928) has the molecular formula C16H18N6 and a molecular weight of 294.36 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)-9-[(4-methyl-2-pyridinyl)methyl]purin-6-amine.

Molecular Properties

Compound Name2-(cyclopropylmethyl)-9-[(4-methyl-2-pyridinyl)methyl]purin-6-amine
PubChem CID178028928
Molecular FormulaC16H18N6
Molecular Weight294.36 g/mol
Exact Mass294.16
IUPAC Name2-(cyclopropylmethyl)-9-[(4-methyl-2-pyridinyl)methyl]purin-6-amine
SMILESCc1ccnc(Cn2cnc3c(N)nc(CC4CC4)nc32)c1
InChIInChI=1S/C16H18N6/c1-10-4-5-18-12(6-10)8-22-9-19-14-15(17)20-13(21-16(14)22)7-11-2-3-11/h4-6,9,11H,2-3,7-8H2,1H3,(H2,17,20,21)
InChIKeyKEHODVBBHZFUDA-UHFFFAOYSA-N
XLogP2.11
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

9-[(4-methyl-2-pyridinyl)methyl]purine
CID 171791566
2-(cyclopropylmethoxy)-9-[[4-[(dimethylamino)methyl]phenyl]methyl]purin-6-amine
CID 138700891
2-chloro-9-[(6-methyl-2-pyridinyl)methyl]purin-6-amine
CID 162676318
9-[(2-cyclopropylphenyl)methyl]purine-2,6-diamine
CID 167978863
2-methyl-9-[(3-methylpyrazin-2-yl)methyl]purin-6-amine
CID 155323723
4-(cyclopropylmethyl)-2-methylpyrimidine
CID 123281493
ethane;(4-methyl-2-pyridinyl)methanamine
CID 142030002
9-benzyl-2-(4-methylphenyl)sulfanylpurin-6-amine
CID 18332690
9-[(4-methylphenyl)methyl]purin-6-amine
CID 30470362
(4-oxoazetidin-2-yl) 4-[[6-amino-9-[[(2S)-1-(ethylamino)-3,4-dihydroxy-1-oxobutan-2-yl]oxymethyl]purin-2-yl]methyl]piperidine-1-carboxylate
CID 71000653
9-(1H-indol-7-ylmethyl)-2-methylpurin-6-amine
CID 129244073
3-[(4-amino-2-pyridinyl)methyl]-5-bromo-6-methylpyrimidin-4-one
CID 79250886

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethyl)-9-[(4-methyl-2-pyridinyl)methyl]purin-6-amine?
The IUPAC name of 2-(cyclopropylmethyl)-9-[(4-methyl-2-pyridinyl)methyl]purin-6-amine (CID 178028928) is 2-(cyclopropylmethyl)-9-[(4-methyl-2-pyridinyl)methyl]purin-6-amine.
What is the SMILES notation for 2-(cyclopropylmethyl)-9-[(4-methyl-2-pyridinyl)methyl]purin-6-amine?
The canonical SMILES for 2-(cyclopropylmethyl)-9-[(4-methyl-2-pyridinyl)methyl]purin-6-amine is Cc1ccnc(Cn2cnc3c(N)nc(CC4CC4)nc32)c1.
What is the InChIKey of 2-(cyclopropylmethyl)-9-[(4-methyl-2-pyridinyl)methyl]purin-6-amine?
The InChIKey is KEHODVBBHZFUDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6/c1-10-4-5-18-12(6-10)8-22-9-19-14-15(17)20-13(21-16(14)22)7-11-2-3-11/h4-6,9,11H,2-3,7-8H2,1H3,(H2,17,20,21).
What are the key properties of 2-(cyclopropylmethyl)-9-[(4-methyl-2-pyridinyl)methyl]purin-6-amine?
2-(cyclopropylmethyl)-9-[(4-methyl-2-pyridinyl)methyl]purin-6-amine has a molecular weight of 294.36 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethyl)-9-[(4-methyl-2-pyridinyl)methyl]purin-6-amine is sourced from PubChem (CID 178028928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).