2-N-[[4-(dimethylamino)oxan-4-yl]methyl]-4-N-ethylpyrimidine-2,4-diamine

C14H25N5O — CID 50980405

IUPAC2-N-[[4-(dimethylamino)oxan-4-yl]methyl]-4-N-ethylpyrimidine-2,4-diamine
SMILESCCNc1ccnc(NCC2(N(C)C)CCOCC2)n1
InChIInChI=1S/C14H25N5O/c1-4-15-12-5-8-16-13(18-12)17-11-14(19(2)3)6-9-20-10-7-14/h5,8H,4,6-7,9-11H2,1-3H3,(H2,15,16,17,18)
InChIKeyJUNZFNWCIQPKPC-UHFFFAOYSA-N
MW279.39 g/mol
LogP1.43
Rot. Bonds6

About 2-N-[[4-(dimethylamino)oxan-4-yl]methyl]-4-N-ethylpyrimidine-2,4-diamine

2-N-[[4-(dimethylamino)oxan-4-yl]methyl]-4-N-ethylpyrimidine-2,4-diamine (PubChem CID 50980405) has the molecular formula C14H25N5O and a molecular weight of 279.39 g/mol. Its IUPAC name is 2-N-[[4-(dimethylamino)oxan-4-yl]methyl]-4-N-ethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[[4-(dimethylamino)oxan-4-yl]methyl]-4-N-ethylpyrimidine-2,4-diamine
PubChem CID50980405
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC Name2-N-[[4-(dimethylamino)oxan-4-yl]methyl]-4-N-ethylpyrimidine-2,4-diamine
SMILESCCNc1ccnc(NCC2(N(C)C)CCOCC2)n1
InChIInChI=1S/C14H25N5O/c1-4-15-12-5-8-16-13(18-12)17-11-14(19(2)3)6-9-20-10-7-14/h5,8H,4,6-7,9-11H2,1-3H3,(H2,15,16,17,18)
InChIKeyJUNZFNWCIQPKPC-UHFFFAOYSA-N
XLogP1.43
TPSA62.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N-[[4-(dimethylamino)oxan-4-yl]methyl]-4-N-ethylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-[[4-(dimethylamino)oxan-4-yl]methyl]-4-N-ethylpyrimidine-2,4-diamine (CID 50980405) is 2-N-[[4-(dimethylamino)oxan-4-yl]methyl]-4-N-ethylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[[4-(dimethylamino)oxan-4-yl]methyl]-4-N-ethylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[[4-(dimethylamino)oxan-4-yl]methyl]-4-N-ethylpyrimidine-2,4-diamine is CCNc1ccnc(NCC2(N(C)C)CCOCC2)n1.
What is the InChIKey of 2-N-[[4-(dimethylamino)oxan-4-yl]methyl]-4-N-ethylpyrimidine-2,4-diamine?
The InChIKey is JUNZFNWCIQPKPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O/c1-4-15-12-5-8-16-13(18-12)17-11-14(19(2)3)6-9-20-10-7-14/h5,8H,4,6-7,9-11H2,1-3H3,(H2,15,16,17,18).
What are the key properties of 2-N-[[4-(dimethylamino)oxan-4-yl]methyl]-4-N-ethylpyrimidine-2,4-diamine?
2-N-[[4-(dimethylamino)oxan-4-yl]methyl]-4-N-ethylpyrimidine-2,4-diamine has a molecular weight of 279.39 g/mol, XLogP of 1.43, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[[4-(dimethylamino)oxan-4-yl]methyl]-4-N-ethylpyrimidine-2,4-diamine is sourced from PubChem (CID 50980405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).