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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Related Compounds

4-N-(3-methoxy-2,2-dimethylpropyl)pyrimidine-2,4-diamine
CID 122536475
N-(oxan-4-yl)pyrimidin-2-amine
CID 43610313
N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
CID 61253199
4-[(3R)-3-Aminopyrrolidin-1-yl]-N-(tetrahydro-2H-pyran-4-yl)pyrimidin-2-amine
CID 58227346
2-(4-Methoxypiperidin-1-yl)pyrimidin-4-amine
CID 90176595
1-(Oxolan-3-ylmethyl)-3-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]urea
CID 51082770
N-(oxolan-3-ylmethyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 51084923
5-bromo-N-[[4-(dimethylamino)oxan-4-yl]methyl]pyrimidin-2-amine
CID 56790164
N-{[4-(dimethylamino)tetrahydro-2H-pyran-4-yl]methyl}-4-methylpyrimidin-2-amine
CID 72883890
2-N,2-N,4-N-trimethyl-4-N-(oxan-4-yl)pyrimidine-2,4-diamine
CID 75423627
2-N,2-N,4-N-trimethyl-4-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]pyrimidine-2,4-diamine
CID 75423984
4-(Pyrimidin-2-yl)oxan-4-amine
CID 126980358

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).