2-butoxy-6-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C10H13ClN4O — CID 146188042

IUPAC2-butoxy-6-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCCCCOc1nc(N)c2cc(Cl)[nH]c2n1
InChIInChI=1S/C10H13ClN4O/c1-2-3-4-16-10-14-8(12)6-5-7(11)13-9(6)15-10/h5H,2-4H2,1H3,(H3,12,13,14,15)
InChIKeyKKHVUKWMVZSMNO-UHFFFAOYSA-N
MW240.69 g/mol
LogP2.37
Rot. Bonds4

About 2-butoxy-6-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-amine

2-butoxy-6-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 146188042) has the molecular formula C10H13ClN4O and a molecular weight of 240.69 g/mol. Its IUPAC name is 2-butoxy-6-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-butoxy-6-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID146188042
Molecular FormulaC10H13ClN4O
Molecular Weight240.69 g/mol
Exact Mass240.08
IUPAC Name2-butoxy-6-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCCCCOc1nc(N)c2cc(Cl)[nH]c2n1
InChIInChI=1S/C10H13ClN4O/c1-2-3-4-16-10-14-8(12)6-5-7(11)13-9(6)15-10/h5H,2-4H2,1H3,(H3,12,13,14,15)
InChIKeyKKHVUKWMVZSMNO-UHFFFAOYSA-N
XLogP2.37
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.69
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-butoxy-6-chloro-5-nitropyrimidin-4-amine
CID 118939933
2-butoxy-4,6-dichloro-5-methylpyrimidine
CID 118940482
2-butoxy-7H-purin-9-ium-6-amine
CID 123806555
4-chloro-6-hexoxy-1,3,5-triazin-2-amine
CID 80861147
2-chloro-4,6-dioctadecoxy-1,3,5-triazine
CID 14236381
6-amino-2-butoxy-9-[4-(methylamino)butyl]-7H-purin-8-one
CID 143113056
6-butoxy-4-chloropyridin-2-amine
CID 58278129
5,8,14,17,23,26,32,35-octabutoxy-6,7,15,16,24,25,33,34-octachloro-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene
CID 135471803
6-amino-4-butoxy-1,3,5-thiadiazine-2-thione
CID 15681566
4-amino-2-butoxy-7-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrrolo[2,3-d]pyrimidine-6-carbaldehyde
CID 146187717
4-chloro-N-methyl-6-pentoxy-1,3,5-triazin-2-amine
CID 80866765
N-methyl-4-pentoxy-6-propoxy-1,3,5-triazin-2-amine
CID 80865211

Frequently Asked Questions

What is the IUPAC name of 2-butoxy-6-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-butoxy-6-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 146188042) is 2-butoxy-6-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-butoxy-6-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-butoxy-6-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-amine is CCCCOc1nc(N)c2cc(Cl)[nH]c2n1.
What is the InChIKey of 2-butoxy-6-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is KKHVUKWMVZSMNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN4O/c1-2-3-4-16-10-14-8(12)6-5-7(11)13-9(6)15-10/h5H,2-4H2,1H3,(H3,12,13,14,15).
What are the key properties of 2-butoxy-6-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
2-butoxy-6-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 240.69 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-6-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 146188042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).