2-chloro-4-N-[2-(cyclopropylmethoxy)ethyl]-4-N,6-dimethylpyrimidine-4,5-diamine

C12H19ClN4O — CID 114043906

IUPAC2-chloro-4-N-[2-(cyclopropylmethoxy)ethyl]-4-N,6-dimethylpyrimidine-4,5-diamine
SMILESCc1nc(Cl)nc(N(C)CCOCC2CC2)c1N
InChIInChI=1S/C12H19ClN4O/c1-8-10(14)11(16-12(13)15-8)17(2)5-6-18-7-9-3-4-9/h9H,3-7,14H2,1-2H3
InChIKeyDCYSXNMMSFOUSG-UHFFFAOYSA-N
MW270.76 g/mol
LogP1.88
Rot. Bonds6

About 2-chloro-4-N-[2-(cyclopropylmethoxy)ethyl]-4-N,6-dimethylpyrimidine-4,5-diamine

2-chloro-4-N-[2-(cyclopropylmethoxy)ethyl]-4-N,6-dimethylpyrimidine-4,5-diamine (PubChem CID 114043906) has the molecular formula C12H19ClN4O and a molecular weight of 270.76 g/mol. Its IUPAC name is 2-chloro-4-N-[2-(cyclopropylmethoxy)ethyl]-4-N,6-dimethylpyrimidine-4,5-diamine.

Molecular Properties

Compound Name2-chloro-4-N-[2-(cyclopropylmethoxy)ethyl]-4-N,6-dimethylpyrimidine-4,5-diamine
PubChem CID114043906
Molecular FormulaC12H19ClN4O
Molecular Weight270.76 g/mol
Exact Mass270.12
IUPAC Name2-chloro-4-N-[2-(cyclopropylmethoxy)ethyl]-4-N,6-dimethylpyrimidine-4,5-diamine
SMILESCc1nc(Cl)nc(N(C)CCOCC2CC2)c1N
InChIInChI=1S/C12H19ClN4O/c1-8-10(14)11(16-12(13)15-8)17(2)5-6-18-7-9-3-4-9/h9H,3-7,14H2,1-2H3
InChIKeyDCYSXNMMSFOUSG-UHFFFAOYSA-N
XLogP1.88
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-N-[2-(cyclopropylmethoxy)ethyl]-4-N,6-dimethylpyrimidine-4,5-diamine?
The IUPAC name of 2-chloro-4-N-[2-(cyclopropylmethoxy)ethyl]-4-N,6-dimethylpyrimidine-4,5-diamine (CID 114043906) is 2-chloro-4-N-[2-(cyclopropylmethoxy)ethyl]-4-N,6-dimethylpyrimidine-4,5-diamine.
What is the SMILES notation for 2-chloro-4-N-[2-(cyclopropylmethoxy)ethyl]-4-N,6-dimethylpyrimidine-4,5-diamine?
The canonical SMILES for 2-chloro-4-N-[2-(cyclopropylmethoxy)ethyl]-4-N,6-dimethylpyrimidine-4,5-diamine is Cc1nc(Cl)nc(N(C)CCOCC2CC2)c1N.
What is the InChIKey of 2-chloro-4-N-[2-(cyclopropylmethoxy)ethyl]-4-N,6-dimethylpyrimidine-4,5-diamine?
The InChIKey is DCYSXNMMSFOUSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN4O/c1-8-10(14)11(16-12(13)15-8)17(2)5-6-18-7-9-3-4-9/h9H,3-7,14H2,1-2H3.
What are the key properties of 2-chloro-4-N-[2-(cyclopropylmethoxy)ethyl]-4-N,6-dimethylpyrimidine-4,5-diamine?
2-chloro-4-N-[2-(cyclopropylmethoxy)ethyl]-4-N,6-dimethylpyrimidine-4,5-diamine has a molecular weight of 270.76 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-N-[2-(cyclopropylmethoxy)ethyl]-4-N,6-dimethylpyrimidine-4,5-diamine is sourced from PubChem (CID 114043906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).