4-N,4-N,5-trimethyl-2-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]pyrimidine-2,4-diamine

C17H29N5O — CID 50967982

IUPAC4-N,4-N,5-trimethyl-2-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]pyrimidine-2,4-diamine
SMILESCc1cnc(NC2CCN(CC3CCCO3)CC2)nc1N(C)C
InChIInChI=1S/C17H29N5O/c1-13-11-18-17(20-16(13)21(2)3)19-14-6-8-22(9-7-14)12-15-5-4-10-23-15/h11,14-15H,4-10,12H2,1-3H3,(H,18,19,20)
InChIKeyRYQLGQGROUBRNV-UHFFFAOYSA-N
MW319.45 g/mol
LogP1.91
Rot. Bonds5

About 4-N,4-N,5-trimethyl-2-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]pyrimidine-2,4-diamine

4-N,4-N,5-trimethyl-2-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]pyrimidine-2,4-diamine (PubChem CID 50967982) has the molecular formula C17H29N5O and a molecular weight of 319.45 g/mol. Its IUPAC name is 4-N,4-N,5-trimethyl-2-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N,4-N,5-trimethyl-2-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]pyrimidine-2,4-diamine
PubChem CID50967982
Molecular FormulaC17H29N5O
Molecular Weight319.45 g/mol
Exact Mass319.24
IUPAC Name4-N,4-N,5-trimethyl-2-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]pyrimidine-2,4-diamine
SMILESCc1cnc(NC2CCN(CC3CCCO3)CC2)nc1N(C)C
InChIInChI=1S/C17H29N5O/c1-13-11-18-17(20-16(13)21(2)3)19-14-6-8-22(9-7-14)12-15-5-4-10-23-15/h11,14-15H,4-10,12H2,1-3H3,(H,18,19,20)
InChIKeyRYQLGQGROUBRNV-UHFFFAOYSA-N
XLogP1.91
TPSA53.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-N,4-N,5-trimethyl-2-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]pyrimidine-2,4-diamine with MolForge

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Related Compounds

N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]pyrimidin-2-amine
CID 71981393
5-bromo-N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]pyrimidin-2-amine
CID 71981394
(1-{3-[(5-Methylpyrimidin-2-YL)amino]propyl}piperidin-2-YL)methanol
CID 72882614
N-{[8-(5-methylpyrimidin-2-yl)-1-oxa-8-azaspiro[4.5]dec-2-yl]methyl}acetamide
CID 72937737
1,1-Dimethyl-3-[8-(5-methylpyrimidin-2-yl)-1-oxa-8-azaspiro[4.5]decan-3-yl]urea
CID 118739194
5-ethyl-2-methyl-N-[(3R*,4R*)-4-morpholin-4-yltetrahydrofuran-3-yl]pyrimidin-4-amine
CID 50948859
N-[(3-ethyl-4,5-dihydroisoxazol-5-yl)methyl]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine
CID 50949745
Methyl (4-{[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino}piperidin-1-yl)acetate
CID 50971847
1-[(5-Methylpyrimidin-2-yl)amino]-3-piperidin-1-ylpropan-2-ol
CID 72838276
1-[(2-Amino-5-methylpyrimidin-4-yl)amino]-3-piperidin-1-ylpropan-2-ol
CID 72934373
2-N,4-N-bis(2,6-dimethyloxan-4-yl)-5-methylpyrimidine-2,4-diamine
CID 75470622
N-Isopropyl-5-{[4-(2-methoxyethoxy)piperidin-1-YL]methyl}pyrimidin-2-amine
CID 77096201

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N,5-trimethyl-2-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]pyrimidine-2,4-diamine?
The IUPAC name of 4-N,4-N,5-trimethyl-2-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]pyrimidine-2,4-diamine (CID 50967982) is 4-N,4-N,5-trimethyl-2-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N,4-N,5-trimethyl-2-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N,4-N,5-trimethyl-2-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]pyrimidine-2,4-diamine is Cc1cnc(NC2CCN(CC3CCCO3)CC2)nc1N(C)C.
What is the InChIKey of 4-N,4-N,5-trimethyl-2-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]pyrimidine-2,4-diamine?
The InChIKey is RYQLGQGROUBRNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O/c1-13-11-18-17(20-16(13)21(2)3)19-14-6-8-22(9-7-14)12-15-5-4-10-23-15/h11,14-15H,4-10,12H2,1-3H3,(H,18,19,20).
What are the key properties of 4-N,4-N,5-trimethyl-2-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]pyrimidine-2,4-diamine?
4-N,4-N,5-trimethyl-2-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]pyrimidine-2,4-diamine has a molecular weight of 319.45 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N,5-trimethyl-2-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]pyrimidine-2,4-diamine is sourced from PubChem (CID 50967982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).