N-[9-(3-hydroxypropyl)-2-methylpurin-6-yl]formamide

C10H13N5O2 — CID 174765659

IUPACN-[9-(3-hydroxypropyl)-2-methylpurin-6-yl]formamide
SMILESCc1nc(NC=O)c2ncn(CCCO)c2n1
InChIInChI=1S/C10H13N5O2/c1-7-13-9(12-6-17)8-10(14-7)15(5-11-8)3-2-4-16/h5-6,16H,2-4H2,1H3,(H,12,13,14,17)
InChIKeyCPRBBEPECNFCOQ-UHFFFAOYSA-N
MW235.25 g/mol
LogP0.09
Rot. Bonds5

About N-[9-(3-hydroxypropyl)-2-methylpurin-6-yl]formamide

N-[9-(3-hydroxypropyl)-2-methylpurin-6-yl]formamide (PubChem CID 174765659) has the molecular formula C10H13N5O2 and a molecular weight of 235.25 g/mol. Its IUPAC name is N-[9-(3-hydroxypropyl)-2-methylpurin-6-yl]formamide.

Molecular Properties

Compound NameN-[9-(3-hydroxypropyl)-2-methylpurin-6-yl]formamide
PubChem CID174765659
Molecular FormulaC10H13N5O2
Molecular Weight235.25 g/mol
Exact Mass235.11
IUPAC NameN-[9-(3-hydroxypropyl)-2-methylpurin-6-yl]formamide
SMILESCc1nc(NC=O)c2ncn(CCCO)c2n1
InChIInChI=1S/C10H13N5O2/c1-7-13-9(12-6-17)8-10(14-7)15(5-11-8)3-2-4-16/h5-6,16H,2-4H2,1H3,(H,12,13,14,17)
InChIKeyCPRBBEPECNFCOQ-UHFFFAOYSA-N
XLogP0.09
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-amino-9-(6-hydroxyhexyl)-1H-purin-6-one
CID 135415593
3-(6-anilinopurin-9-yl)propan-1-ol
CID 165357858
5-[2-amino-6-(dimethylamino)purin-9-yl]pentan-1-ol
CID 19603033
[2-methyl-6-(methylamino)purin-9-yl]methyl 2,2-dimethylpropanoate
CID 11346459
9-butyl-2-chloro-N-methylpurin-6-amine
CID 142222305
N-[2-(3-hydroxyphenyl)-9-[(2-methoxyphenyl)methyl]purin-6-yl]formamide
CID 174765910
[[9-(2-hydroxyethyl)-2-methylpurine-6-carbonyl]amino]methyl benzoate
CID 150182622
6-[[4-(3-chlorophenyl)phenyl]methylamino]-9-(3-hydroxypropyl)purine-2-carbonitrile
CID 44583522
N-[2-(3-hydroxyanilino)-9-[(2-methoxyphenyl)methyl]purin-6-yl]formamide
CID 174765912
1,3-dibutyl-7-(3-hydroxypropyl)purine-2,6-dione
CID 57299123
3-(9-ethyl-6-iminopurin-1-yl)propan-1-ol
CID 45095420
N-[1-(2-hydroxyethyl)-3-methylpyrazol-4-yl]formamide
CID 166160342

Frequently Asked Questions

What is the IUPAC name of N-[9-(3-hydroxypropyl)-2-methylpurin-6-yl]formamide?
The IUPAC name of N-[9-(3-hydroxypropyl)-2-methylpurin-6-yl]formamide (CID 174765659) is N-[9-(3-hydroxypropyl)-2-methylpurin-6-yl]formamide.
What is the SMILES notation for N-[9-(3-hydroxypropyl)-2-methylpurin-6-yl]formamide?
The canonical SMILES for N-[9-(3-hydroxypropyl)-2-methylpurin-6-yl]formamide is Cc1nc(NC=O)c2ncn(CCCO)c2n1.
What is the InChIKey of N-[9-(3-hydroxypropyl)-2-methylpurin-6-yl]formamide?
The InChIKey is CPRBBEPECNFCOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O2/c1-7-13-9(12-6-17)8-10(14-7)15(5-11-8)3-2-4-16/h5-6,16H,2-4H2,1H3,(H,12,13,14,17).
What are the key properties of N-[9-(3-hydroxypropyl)-2-methylpurin-6-yl]formamide?
N-[9-(3-hydroxypropyl)-2-methylpurin-6-yl]formamide has a molecular weight of 235.25 g/mol, XLogP of 0.09, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[9-(3-hydroxypropyl)-2-methylpurin-6-yl]formamide is sourced from PubChem (CID 174765659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).