1-[[4-(dimethylamino)-2-(ethylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]butan-2-ol

C14H23N7O — CID 134520106

IUPAC1-[[4-(dimethylamino)-2-(ethylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]butan-2-ol
SMILESCCNc1nc(N(C)C)c2nc(NCC(O)CC)ncc2n1
InChIInChI=1S/C14H23N7O/c1-5-9(22)7-16-13-17-8-10-11(19-13)12(21(3)4)20-14(18-10)15-6-2/h8-9,22H,5-7H2,1-4H3,(H,15,18,20)(H,16,17,19)
InChIKeyOYEXIMKFSMUPRS-UHFFFAOYSA-N
MW305.39 g/mol
LogP1.10
Rot. Bonds7

About 1-[[4-(dimethylamino)-2-(ethylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]butan-2-ol

1-[[4-(dimethylamino)-2-(ethylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]butan-2-ol (PubChem CID 134520106) has the molecular formula C14H23N7O and a molecular weight of 305.39 g/mol. Its IUPAC name is 1-[[4-(dimethylamino)-2-(ethylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]butan-2-ol.

Molecular Properties

Compound Name1-[[4-(dimethylamino)-2-(ethylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]butan-2-ol
PubChem CID134520106
Molecular FormulaC14H23N7O
Molecular Weight305.39 g/mol
Exact Mass305.20
IUPAC Name1-[[4-(dimethylamino)-2-(ethylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]butan-2-ol
SMILESCCNc1nc(N(C)C)c2nc(NCC(O)CC)ncc2n1
InChIInChI=1S/C14H23N7O/c1-5-9(22)7-16-13-17-8-10-11(19-13)12(21(3)4)20-14(18-10)15-6-2/h8-9,22H,5-7H2,1-4H3,(H,15,18,20)(H,16,17,19)
InChIKeyOYEXIMKFSMUPRS-UHFFFAOYSA-N
XLogP1.10
TPSA99.09 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.39
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 1-[[4-(dimethylamino)-2-(ethylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]butan-2-ol with MolForge

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Related Compounds

3-[[2-chloro-4-(dimethylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]-1,1,1-trifluoropropan-2-ol
CID 134520399
3-[[4-(dimethylamino)-2-(propylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]butan-2-ol;hydrochloride
CID 134520531
(2S)-1-(dimethylamino)-3-[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]amino]propan-2-ol
CID 125441184
2-[[4-(dimethylamino)-2-(prop-2-enylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]ethanol
CID 134520169
(2S)-1-[(5-iodopyrimidin-2-yl)amino]butan-2-ol
CID 130683912
(2S)-1-[(5-chloropyrimidin-2-yl)amino]butan-2-ol
CID 130680092
1-[[4-(dimethylamino)-2-(propylamino)pyrimido[5,4-d]pyrimidin-6-yl]-methylamino]-2-methylpropan-2-ol
CID 134520296
5-bromo-4-N-butan-2-yl-2-N-ethyl-4-N-methylpyrimidine-2,4-diamine
CID 80776693
1-[[2-(ethylamino)-5-methylpyrimidin-4-yl]-methylamino]-2-methylpropan-2-ol
CID 80849094
1-[[5-methyl-2-(propylamino)pyrimidin-4-yl]amino]butan-2-ol
CID 113493071
1-[[2-(ethylamino)-5-methylpyrimidin-4-yl]amino]pentan-3-ol
CID 113498180
1-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]pentan-3-ol
CID 113498154

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(dimethylamino)-2-(ethylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]butan-2-ol?
The IUPAC name of 1-[[4-(dimethylamino)-2-(ethylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]butan-2-ol (CID 134520106) is 1-[[4-(dimethylamino)-2-(ethylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]butan-2-ol.
What is the SMILES notation for 1-[[4-(dimethylamino)-2-(ethylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]butan-2-ol?
The canonical SMILES for 1-[[4-(dimethylamino)-2-(ethylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]butan-2-ol is CCNc1nc(N(C)C)c2nc(NCC(O)CC)ncc2n1.
What is the InChIKey of 1-[[4-(dimethylamino)-2-(ethylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]butan-2-ol?
The InChIKey is OYEXIMKFSMUPRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N7O/c1-5-9(22)7-16-13-17-8-10-11(19-13)12(21(3)4)20-14(18-10)15-6-2/h8-9,22H,5-7H2,1-4H3,(H,15,18,20)(H,16,17,19).
What are the key properties of 1-[[4-(dimethylamino)-2-(ethylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]butan-2-ol?
1-[[4-(dimethylamino)-2-(ethylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]butan-2-ol has a molecular weight of 305.39 g/mol, XLogP of 1.10, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(dimethylamino)-2-(ethylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]butan-2-ol is sourced from PubChem (CID 134520106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).